Substances (GSRS)

O-METHYL-N-((2-METHYLTHIAZOL-5-YL)CARBONYL)-L-SERYL-O-METHYL-N-((1S)-1-BENZYL-2-((2R)- 2-METHYLOXIR…

Also: ONX 0912, ONX-0912, OPROZOMIB +4

chemicalUNII MZ37792Y8J
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
b4a888d1-ce7a-4136-991a-035183eeb591
Version
26
UNII
MZ37792Y8J
Codes
  1. Uuid
    571558da-9fe0-43fd-8659-a86e519698ef
    Code
    935888-69-0
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=935888-69-0
    Code system
    CAS
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5, 2e4b2041-9529-4e79-a875-13207aa4ddcf
  2. Uuid
    98a1dbd8-ac7d-4089-aa3a-eb7c688dacff
    Code
    C91388
    Type
    PRIMARY
    Url
    https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C91388
    Code system
    NCI_THESAURUS
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
  3. Uuid
    0054d0c2-cd7b-4ad6-9b63-5a412ace721c
    Code
    SUB126055
    Type
    PRIMARY
    Code system
    EVMPD
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
  4. Uuid
    e4c4f200-0677-4c92-9262-1374cbb2608f
    Code
    9597
    Type
    PRIMARY
    Url
    https://extranet.who.int/soinn/mod/page/view.php?id=137&inn_n=9597
    Code system
    INN
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
  5. Uuid
    f889d651-6e9e-4291-92c7-c5af2db46aff
    Code
    CHEMBL2103884
    Type
    PRIMARY
    Url
    https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103884
    Code system
    ChEMBL
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
  6. Uuid
    18202821-b942-40bd-b2bb-317d32835a64
    Code
    25067547
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/25067547
    Code system
    PUBCHEM
    References
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
  7. Uuid
    481a4788-74dd-cade-89c0-a31b758a329b
    Code
    443614
    Comments
    ORPHAN DRUG|Designated|Treatment of Waldenstrom's macroglobulinemia
    Type
    PRIMARY
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=443614
    Code system
    FDA ORPHAN DRUG
  8. Uuid
    20963735-6ce2-dd23-4223-1787bf1f421c
    Code
    449614
    Comments
    ORPHAN DRUG|Designated|Treatment of multiple myeloma
    Type
    PRIMARY
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=449614
    Code system
    FDA ORPHAN DRUG
  9. Uuid
    973953d2-ae7b-6d7d-8505-ec823a459377
    Code
    C2160
    Comments
    Pharmacologic Substance[C1909]|Enzyme Inhibitor[C471]|Proteasome Inhibitor
    Type
    CONCEPT
    Url
    https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C2160
    Code system
    NCI_THESAURUS
    References
    465aff38-0862-66f6-c860-26c563e57c29
  10. Uuid
    1dc2d675-0cfc-4bf4-ad32-821ec6b4bed5
    Code
    MZ37792Y8J
    Type
    PRIMARY
    Code system
    FDA UNII
  11. Uuid
    f2056b14-7411-e57d-c67e-e560e02ba00f
    Code
    DB11991
    Type
    PRIMARY
    Url
    https://go.drugbank.com/drugs/DB11991
    Code system
    DRUG BANK
    References
    465aff38-0862-66f6-c860-26c563e57c29
  12. Uuid
    855c3154-19d6-f641-f0b4-efc52588b231
    Code
    DTXSID201025950
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID201025950
    Code system
    EPA CompTox
    References
    465aff38-0862-66f6-c860-26c563e57c29
  13. +3 more not shown
Relationships
  1. Uuid
    cc300a07-3e77-4232-8246-ac16e63d5616
    Type
    ACTIVE MOIETY
    Related substance
    Uuid
    8351d1c4-7340-4d47-836e-7ee594a1f96d
    Refuuid
    b4a888d1-ce7a-4136-991a-035183eeb591
    Name
    OPROZOMIB
    UNII
    MZ37792Y8J
    Linking ID
    MZ37792Y8J
    Ref pname
    OPROZOMIB
    Substance class
    reference
  2. Uuid
    2c997090-8e8b-401d-9bef-77514adecac5
    Type
    TARGET->INHIBITOR
    Related substance
    Uuid
    4b972829-f2b0-4b55-b881-fdfb6a8cdca3
    Refuuid
    b80b15aa-749b-4ee1-ac0a-1da9e802607c
    Name
    20S PROTEASOME
    UNII
    V2PSF7XPN9
    Linking ID
    V2PSF7XPN9
    Ref pname
    20S PROTEASOME
  3. Uuid
    3b235a1f-7212-4af6-a4ba-a0b3134f449c
    Type
    METABOLITE->PARENT
    References
    887f3546-bec1-4d25-a05e-b0948f0f2f07
    Related substance
    Uuid
    091c8522-48ce-48ed-a735-684ce99e0b19
    Refuuid
    13a359b0-ed24-4f20-9087-e7303ecd69d5
    Name
    (2S)-2-AMINO-1-((2R)-2-METHYL-2-OXIRANYL)-3-PHENYL-1-PROPANONE
    UNII
    9BW3EAT527
    Linking ID
    9BW3EAT527
    Ref pname
    (2S)-2-AMINO-1-((2R)-2-METHYL-2-OXIRANYL)-3-PHENYL-1-PROPANONE
  4. Uuid
    1b2bfccd-fc32-4d35-8c5d-eea82055b88f
    Type
    METABOLIC ENZYME->SUBSTRATE
    References
    91e26500-83fe-4950-93e6-74c77d1841a3
    Related substance
    Uuid
    9bdafa2a-0683-425d-a729-50b5c0b22507
    Refuuid
    4275827d-e329-4907-95b5-7d690692872a
    Name
    CYTOCHROME P450 3A4
    UNII
    PUO0521HZV
    Linking ID
    PUO0521HZV
    Ref pname
    CYTOCHROME P450 3A4
    Substance class
    reference
  5. Uuid
    016ce97c-6e89-4003-8f66-be4ee0b1fa91
    Type
    METABOLITE->PARENT
    References
    0bb8e9c2-2c3c-4883-8671-c5702827e79e
    Related substance
    Uuid
    f06164ea-1b37-4572-843e-b5b901ebc544
    Refuuid
    d591db45-d193-4a3c-8a8f-263ed9082188
    UNII
    75AE2T5TE7
    Linking ID
    75AE2T5TE7
    Name

    N-((1S)-2-(((1S)-2-(((1S)-1-BENZYL-2-((2R)-2-METHYLOXIRAN-2-YL)-2-OXO-ETHYL)AMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)AMINO)-1-(HYDROXYMETHYL)-2-OXO-ETHYL)-2-METHYL-THIAZOLE-5-CARBOXAMIDE

    Ref pname

    N-((1S)-2-(((1S)-2-(((1S)-1-BENZYL-2-((2R)-2-METHYLOXIRAN-2-YL)-2-OXO-ETHYL)AMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)AMINO)-1-(HYDROXYMETHYL)-2-OXO-ETHYL)-2-METHYL-THIAZOLE-5-CARBOXAMIDE

  6. Uuid
    2a6a5744-9cc3-40a1-aae5-43cc788d8943
    Type
    METABOLITE->PARENT
    References
    1ee783ca-7172-4308-8607-882171e9b18a
    Related substance
    Uuid
    3bee17d7-f16b-44ea-b5a6-078f78f87add
    Refuuid
    3b6aaf20-a814-4ad3-ba20-8028fde0b8b9
    UNII
    2G543TYQ5G
    Linking ID
    2G543TYQ5G
    Name

    N-((1S)-2-(((1S)-2-(((1S)-1-BENZYL-2-((2R)-2-METHYLOXIRAN-2-YL)-2-OXO-ETHYL)AMINO)-1-(HYDROXYMETHYL)-2-OXO-ETHYL)AMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)-2-METHYL-THIAZOLE-5-CARBOXAMIDE

    Ref pname

    N-((1S)-2-(((1S)-2-(((1S)-1-BENZYL-2-((2R)-2-METHYLOXIRAN-2-YL)-2-OXO-ETHYL)AMINO)-1-(HYDROXYMETHYL)-2-OXO-ETHYL)AMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)-2-METHYL-THIAZOLE-5-CARBOXAMIDE

  7. Uuid
    a77e4463-bedc-4631-a802-d167720f0082
    Type
    METABOLITE->PARENT
    References
    0d46ba85-4c46-4ec7-b0b0-cbe28c6054ec
    Related substance
    Uuid
    81a93e03-c4ce-40c2-849b-b3fc021cd0b5
    Refuuid
    72a04503-cef3-4992-9584-e66d02b48483
    Name
    (2S)-3-METHOXY-2-((2-METHYLTHIAZOLE-5-CARBONYL)AMINO)PROPANOIC ACID
    UNII
    YN8L3GA7BP
    Linking ID
    YN8L3GA7BP
    Ref pname
    (2S)-3-METHOXY-2-((2-METHYLTHIAZOLE-5-CARBONYL)AMINO)PROPANOIC ACID
  8. Uuid
    5f47ad25-3fc0-47d3-86d7-f2ed0b1378ae
    Type
    METABOLITE->PARENT
    References
    91e26500-83fe-4950-93e6-74c77d1841a3
    Related substance
    Uuid
    400b148f-260b-4bf2-a882-c13828cb6e15
    Refuuid
    1b8f9942-e631-4ca9-b9c3-13b3da8a7a73
    Name
    (2R,4S)-4-AMINO-1,2-DIHYDROXY-2-METHYL-5-PHENYL-PENTAN-3-ONE
    UNII
    F698T22D5H
    Linking ID
    F698T22D5H
    Ref pname
    (2R,4S)-4-AMINO-1,2-DIHYDROXY-2-METHYL-5-PHENYL-PENTAN-3-ONE
Names
  1. Uuid
    162cad53-3385-4f8f-bb32-c488ff1c06bc
    Name
    O-METHYL-N-((2-METHYLTHIAZOL-5-YL)CARBONYL)-L-SERYL-O-METHYL-N-((1S)-1-BENZYL-2-((2R)- 2-METHYLOXIRAN-2-YL)-2-OXOETHYL)-L-SERINAMIDE
    StdName
    O-METHYL-N-((2-METHYLTHIAZOL-5-YL)CARBONYL)-L-SERYL-O-METHYL-N-((1S)-1-BENZYL-2-((2R)- 2-METHYLOXIRAN-2-YL)-2-OXOETHYL)-L-SERINAMIDE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    61fff5c0-37a6-4faa-a33a-6ac56a50367d
  2. Uuid
    987c62b1-e716-4ab3-841f-a7ef16ce6cf1
    Name
    ONX 0912
    StdName
    ONX 0912
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    61fff5c0-37a6-4faa-a33a-6ac56a50367d
  3. Uuid
    5ec5ab00-4c63-4eed-ac1e-853e00f6b190
    Name
    ONX-0912
    StdName
    ONX-0912
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    61fff5c0-37a6-4faa-a33a-6ac56a50367d
  4. Uuid
    5db2b736-58ac-4564-8c2a-b7dc2366831d
    Name
    OPROZOMIB
    StdName
    OPROZOMIB
    Type
    of
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    093d6385-f2e5-4ef7-ae03-3897051ebe12, 38016c94-07dc-4cd8-ab9d-97e562f4a01b, 561e056b-0eb4-4d9c-b184-fee4fd63cd2a, 97ac4a0e-1f3b-435b-8536-1d1d8b120653, 61fff5c0-37a6-4faa-a33a-6ac56a50367d, 2dc91437-6919-4cb3-8d31-576fb306f3f0, 8597e1c7-8e32-4e7d-bcc9-2bf0287912b4
    Domains
    drug
    Name orgs
    1. Uuid
      9e0b1071-ebcd-46ac-b233-6123e5d48d1e
      Name org
      USAN
    2. Uuid
      7f5c987e-0521-4668-951a-5004335ee48e
      Name org
      INN
  5. Uuid
    bc830cff-57e6-4554-b39b-f34cae9915d9
    Name
    OPROZOMIB [USAN]
    StdName
    OPROZOMIB [USAN]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    61fff5c0-37a6-4faa-a33a-6ac56a50367d
  6. Uuid
    d9453b63-faeb-bfdf-3c24-aec896c2cff2
    Name
    Oprozomib [WHO-DD]
    StdName
    OPROZOMIB [WHO-DD]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    27224ed3-28df-fcee-7709-f1585d6b1305
  7. Uuid
    78f14dce-aaf9-45fd-b751-2b91e3929bfa
    Name
    PR-047
    StdName
    PR-047
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    14cd9fd9-0fe2-4d69-9174-f697cf2771eb, 8597e1c7-8e32-4e7d-bcc9-2bf0287912b4
  8. Uuid
    60872fd2-31d1-49e9-a84a-0e690e802bac
    Name
    oprozomib [INN]
    StdName
    OPROZOMIB [INN]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    561e056b-0eb4-4d9c-b184-fee4fd63cd2a, 8597e1c7-8e32-4e7d-bcc9-2bf0287912b4, 345ba047-d2eb-4cba-8f20-f2431e9669f3
References
  1. Uuid
    61fff5c0-37a6-4faa-a33a-6ac56a50367d
    Citation
    http://www.ama-assn.org/resources/doc/usan/oprozomib.pdf
    Url
    http://www.ama-assn.org/resources/doc/usan/oprozomib.pdf
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    561e056b-0eb4-4d9c-b184-fee4fd63cd2a
    Citation
    INN 107
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    8597e1c7-8e32-4e7d-bcc9-2bf0287912b4
    Citation
    INN
    Doc type
    INN
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    14cd9fd9-0fe2-4d69-9174-f697cf2771eb
    Citation
    http://ac.els-cdn.com/S0167488912001218/1-s2.0-S0167488912001218-main.pdf?_tid=ca4ec6f2-97d4-11e2-83
    Url
    http://ac.els-cdn.com/S0167488912001218/1-s2.0-S0167488912001218-main.pdf?_tid=ca4ec6f2-97d4-11e2-83
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  5. Uuid
    093d6385-f2e5-4ef7-ae03-3897051ebe12
    Citation
    WHO-DD
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  6. Uuid
    31b2b81c-48ac-4d6b-a1f0-11cdad4a2ea5
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493391574000
    Tags
    NOMEN
  7. Uuid
    f08c75da-a6bd-46ed-81d7-42e97d4817eb
    Citation
    SRS import [MZ37792Y8J]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=MZ37792Y8J
    Doc type
    SRS
    Public domain
    true
    Document date
    1493391574000
    Tags
    NOMEN
  8. Uuid
    f16ca9db-6509-4614-b83e-980b415eb8f9
    Citation
    AMA-ASSN.org
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  9. Uuid
    2dc91437-6919-4cb3-8d31-576fb306f3f0
    Citation
    OPROZOMIB [USAN]
    Doc type
    SRS_LOCATOR
    Public domain
    true
  10. Uuid
    38016c94-07dc-4cd8-ab9d-97e562f4a01b
    Citation
    OPROZOMIB [INN]
    Doc type
    SRS_LOCATOR
    Public domain
    true
  11. Uuid
    97ac4a0e-1f3b-435b-8536-1d1d8b120653
    Citation
    OPROZOMIB [WHO-DD]
    Doc type
    SRS_LOCATOR
    Public domain
    true
  12. Uuid
    465aff38-0862-66f6-c860-26c563e57c29
    Doc type
    SYSTEM
    Public domain
    true
  13. +14 more not shown
Moieties
  1. Uuid
    6f4bd8dc-d7fc-4d9a-acb0-9ed86706caa0
    ID
    6f4bd8dc-d7fc-4d9a-acb0-9ed86706caa0
    Smiles
    Cc1ncc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]3(C)CO3)s1
    Formula
    C25H32N4O7S
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ABSOLUTE
    Defined stereo
    4
    Ez centers
    0
    Molecular weight
    532.6112
    Optical activity
    UNSPECIFIED
    Stereo centers
    4
    Molfile

    Marvin 01132105472D 37 39 0 0 1 0 999 V2000 9.4012 -14.9186 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 9.3819 -15.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 -16.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 -16.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 -14.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -15.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1766 -15.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2839 -14.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0751 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -13.8585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -14.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1532 -14.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5894 -15.1499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1252 -14.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1445 -13.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8298 -14.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4740 -14.4367 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 11.3498 -13.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5409 -13.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2769 -12.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2425 -14.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3294 -15.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8867 -14.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 -14.6506 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 14.3152 -14.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 -13.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 -13.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 -12.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -11.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7110 -12.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8352 -12.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 -15.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8481 -15.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2767 -15.9045 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 13.9764 -16.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8216 -15.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0856 -16.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 6 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 13 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 11 12 1 0 0 0 0 13 11 1 0 0 0 0 14 15 2 0 0 0 0 16 14 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 32 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 33 2 0 0 0 0 34 32 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 37 34 1 0 0 0 0 37 36 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    7c126b5f-3288-4599-a00b-5db1831a7424
Structure
ID
6120ffe0-664b-48d6-99c9-d35476b60e17
Smiles
Cc1ncc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]3(C)CO3)s1
Formula
C25H32N4O7S
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
4
Ez centers
0
Molecular weight
532.6112
Optical activity
UNSPECIFIED
Stereo centers
4
Molfile

Marvin 01132105022D 37 39 0 0 1 0 999 V2000 13.5720 -15.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 -14.6506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3152 -14.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 -13.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 -13.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 -12.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -11.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7110 -12.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8352 -12.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8867 -14.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2425 -14.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3294 -15.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4740 -14.4367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3498 -13.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5409 -13.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2769 -12.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8298 -14.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1252 -14.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1445 -13.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -14.9186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3819 -15.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 -16.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 -16.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 -14.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -15.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2839 -14.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5894 -15.1499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -14.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -13.8585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0751 -13.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1532 -14.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1766 -15.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2767 -15.9045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8216 -15.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0856 -16.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9764 -16.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8481 -15.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 4 9 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 13 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 20 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 26 2 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 25 32 2 0 0 0 0 33 1 1 0 0 0 0 33 34 1 0 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 33 36 1 6 0 0 0 1 37 2 0 0 0 0 M END

References
f16ca9db-6509-4614-b83e-980b415eb8f9, f08c75da-a6bd-46ed-81d7-42e97d4817eb, 345ba047-d2eb-4cba-8f20-f2431e9669f3
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Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.