Substances (GSRS)

4-((7-METHOXY-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)BENZOIC ACID, HEMIFUMARATE

Also: ARM-210 HEMIFUMARATE, BENZOIC ACID, 4-((2,3-DIHYDRO-7-METHOXY-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1), Surlorian he…

chemicalUNII ZHR6WM1ADJ
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
88260f82-f923-447f-8b21-a0f1c8e8eecb
Version
10
UNII
ZHR6WM1ADJ
Codes
  1. Uuid
    f914e723-6067-4bab-b9c0-247ad73b4546
    Code
    1467606-11-6
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=1467606-11-6
    Code system
    CAS
    References
    7ac104c6-6ca3-4a5c-9a95-6f7e157a3b3f, 88bbdd07-e102-44cd-a373-3548baaef518
  2. Uuid
    6b86601a-862a-cdfb-ded3-a7e12b55cfa3
    Code
    501515
    Comments
    ORPHAN DRUG|Designated|Treatment of patients with Duchenne Muscular Dystrophy.
    Type
    PRIMARY
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=501515
    Code system
    FDA ORPHAN DRUG
  3. Uuid
    04280bd5-e1f0-41b5-9a70-696a17eb1e3a
    Code
    92135933
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/92135933
    Code system
    PUBCHEM
    References
    84180883-73b3-dbc2-78dc-9016f31541fc
  4. Uuid
    8a25a4fc-a038-b0c4-eed5-720a86146463
    Code
    558016
    Comments
    ORPHAN DRUG|Designated|Treatment of Ryanodine receptor type 1-related myopathies
    Type
    PRIMARY
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=558016
    Code system
    FDA ORPHAN DRUG
    References
    57e9f12a-d403-6c8f-ab41-533ede864ab9
  5. Uuid
    5ab8f85f-ffa5-ac58-9fb1-945543896a36
    Code
    736220
    Comments
    ORPHAN DRUG|Designated|Treatment of Catecholaminergic Polymorphic Ventricular Tachycardia
    Type
    PRIMARY
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=736220
    Code system
    FDA ORPHAN DRUG
    References
    57e9f12a-d403-6c8f-ab41-533ede864ab9
  6. Uuid
    fe11b18c-9c2c-4a3e-b07c-8e58617a8ae2
    Code
    ZHR6WM1ADJ
    Type
    PRIMARY
    Code system
    FDA UNII
Relationships
  1. Uuid
    761bc91b-3a09-454e-a766-e7429465729a
    Type
    ACTIVE MOIETY
    Amount
    Uuid
    3a300647-478d-48b5-b95c-9da12aa1b03c
    Related substance
    Uuid
    34e906c4-002d-4390-ae2c-075bda4992ca
    Refuuid
    4424fbd1-bb6e-447f-a0ae-7def6119cd9e
    Name
    Surlorian
    UNII
    1033GN605L
    Linking ID
    1033GN605L
    Ref pname
    Surlorian
    Substance class
    reference
  2. Uuid
    ef0acaa4-83a7-4738-b708-1cb3185a6089
    Type
    PARENT->SALT/SOLVATE
    Amount
    Uuid
    e9075578-c63a-45c4-8504-cd182e959251
    Related substance
    Uuid
    aad97402-eb1d-4ea4-900b-156db77b6aee
    Refuuid
    4424fbd1-bb6e-447f-a0ae-7def6119cd9e
    Name
    Surlorian
    UNII
    1033GN605L
    Linking ID
    1033GN605L
    Ref pname
    Surlorian
    Substance class
    reference
Names
  1. Uuid
    e59e9ec2-0d5e-4fb2-8197-3cb200357f9d
    Name
    4-((7-METHOXY-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)BENZOIC ACID, HEMIFUMARATE
    StdName
    4-((7-METHOXY-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)BENZOIC ACID, HEMIFUMARATE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    5bfdcec6-7699-4a3b-bf7f-28ad9f6d965b, 8a69d8b5-b23b-4ed5-bd2d-53ef031ad145
  2. Uuid
    cbc1b138-b083-415e-b0b6-a74f7cade340
    Name
    ARM-210 HEMIFUMARATE
    StdName
    ARM-210 HEMIFUMARATE
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    5bfdcec6-7699-4a3b-bf7f-28ad9f6d965b, 8a69d8b5-b23b-4ed5-bd2d-53ef031ad145
  3. Uuid
    7d3cb37b-96fe-498a-ae62-fbf17831f29d
    Name
    BENZOIC ACID, 4-((2,3-DIHYDRO-7-METHOXY-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1)
    StdName
    BENZOIC ACID, 4-((2,3-DIHYDRO-7-METHOXY-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    58519726-6073-4ebd-afcf-8c26ca24ddcd, 8a69d8b5-b23b-4ed5-bd2d-53ef031ad145
  4. Uuid
    a3b25ee0-f8e2-418b-932c-866e904977fd
    Name
    Surlorian hemifumarate
    StdName
    SURLORIAN HEMIFUMARATE
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    d619e6f6-e7a5-4ec5-be28-13cba7e3e158
References
  1. Uuid
    5bfdcec6-7699-4a3b-bf7f-28ad9f6d965b
    Citation
    orphan drug
    Url
    https://www.accessdata.fda.gov/scripts/opdlisting/oopd/detailedIndex.cfm?cfgridkey=501515
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    8a69d8b5-b23b-4ed5-bd2d-53ef031ad145
    Citation
    ORPHAN DRUG
    Doc type
    ORPHAN DRUG
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    58519726-6073-4ebd-afcf-8c26ca24ddcd
    Citation
    stn
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    7ac104c6-6ca3-4a5c-9a95-6f7e157a3b3f
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493394095000
    Tags
    NOMEN
  5. Uuid
    84180883-73b3-dbc2-78dc-9016f31541fc
    Citation
    PUBCHEM
    Doc type
    NLM
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
  6. Uuid
    57e9f12a-d403-6c8f-ab41-533ede864ab9
    Doc type
    SYSTEM
    Public domain
    true
  7. Uuid
    88bbdd07-e102-44cd-a373-3548baaef518
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  8. Uuid
    d619e6f6-e7a5-4ec5-be28-13cba7e3e158
    Citation
    SRS
    Doc type
    SRS
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
Moieties
  1. Uuid
    27f30f13-4e62-4784-9752-5c1c96bf5adf
    ID
    27f30f13-4e62-4784-9752-5c1c96bf5adf
    Smiles
    C(=C\C(=O)O)/C(=O)O
    Formula
    C4H4O4
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    1
    Molecular weight
    116.0723
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132102112D 8 7 0 0 0 0 999 V2000 2.5974 -4.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -4.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -3.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 -4.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -4.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 -4.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 -4.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 -5.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    f17cfe42-3b05-4fab-865f-e1252e938e91
  2. Uuid
    66914698-8cc7-4da8-9173-eef507583597
    ID
    66914698-8cc7-4da8-9173-eef507583597
    Smiles
    COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O
    Formula
    C18H19NO3S
    Atropisomerism
    No
    Charge
    0
    Count
    2
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    329.4151
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132105202D 23 25 0 0 0 0 999 V2000 2.7754 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -2.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6392 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -0.7161 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0892 -0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4456 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0892 -2.3885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6057 -3.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4203 -2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9369 -3.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -3.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0545 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 -2.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 -2.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1720 -1.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 -3.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6392 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 -2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 23 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 22 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 21 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 12 17 2 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    2
    Units
    MOL RATIO
    Uuid
    15c38e53-7c68-4323-881c-d3ab2538d85a
Structure
ID
a0f47bfe-2447-4b1e-9782-65f7fdf626f7
Smiles
COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O.COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O.C(=C\C(=O)O)/C(=O)O
Formula
2C18H19NO3S.C4H4O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
1
Molecular weight
774.9026
Optical activity
NONE
Stereo centers
0
Molfile

Marvin 01132108222D 54 57 0 0 0 0 999 V2000 17.5762 -8.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7139 -8.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8516 -8.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9893 -8.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1271 -8.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2649 -8.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1271 -10.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7139 -6.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3088 -3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4940 -3.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1912 -4.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3765 -4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8599 -3.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1628 -3.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9775 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0453 -4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5288 -3.4642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8852 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5288 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 -1.7918 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0788 -2.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0788 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 -3.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3630 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6471 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6471 -2.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3630 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9311 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2151 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6116 -2.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 -4.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3088 -3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4940 -3.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1912 -4.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3765 -4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8599 -3.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1628 -3.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9775 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0453 -4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5288 -3.4642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8852 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5288 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 -1.7918 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0788 -2.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0788 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 -3.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3630 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6471 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6471 -2.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3630 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9311 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2151 -3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6116 -2.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 -4.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24 22 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 21 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 9 30 2 0 0 0 0 9 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 8 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 17 23 1 0 0 0 0 32 53 2 0 0 0 0 32 54 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 41 40 1 0 0 0 0 40 46 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 43 44 1 0 0 0 0 50 44 2 0 0 0 0 45 44 1 0 0 0 0 47 45 2 0 0 0 0 46 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M STY 1 1 MUL M SAL 1 15 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 M SAL 1 15 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 M SAL 1 15 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 M SAL 1 1 54 M SPA 1 15 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 M SPA 1 8 24 25 26 27 28 29 30 31 M SDI 1 4 15.7951 -5.0524 15.7951 -1.3718 M SDI 1 4 25.2454 -1.3718 25.2454 -5.0524 M SMT 1 2 M END

References
5bfdcec6-7699-4a3b-bf7f-28ad9f6d965b
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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.