Substances (GSRS)

1,1-BUTANEDIOL, 2,2,3-TRICHLORO-, COMPD. WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3…

Also: 3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1), 4-(DIMETHYLAMINO)…

chemicalUNII 144H3679JY
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
4cfdc53e-2fa8-4ee2-a084-c8bd5acdcc56
Version
5
UNII
144H3679JY
Codes
  1. Uuid
    2dff8ed6-57fe-4ed1-b812-fc5f9863984c
    Code
    3963-81-3
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=3963-81-3
    Code system
    CAS
    References
    cf4d6385-317a-4a7c-a969-701d813c9363, f790e19a-4374-4570-ac8c-4bcc94b6a5b2
  2. Uuid
    f76b9f68-5541-4a0a-b441-7d1cd90acfad
    Code
    223-567-8
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.021.426
    Code system
    ECHA (EC/EINECS)
    References
    cf4d6385-317a-4a7c-a969-701d813c9363
  3. Uuid
    caceeaf1-c9c9-461a-9465-c394e346ff89
    Code
    107200
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/107200
    Code system
    PUBCHEM
    References
    cf4d6385-317a-4a7c-a969-701d813c9363
  4. Uuid
    4bebd3d9-527e-320a-6e54-0ea000550262
    Code
    DTXSID20960233
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID20960233
    Code system
    EPA CompTox
    References
    2145e176-0f11-a33a-82e3-e8698cf4d678
  5. Uuid
    f38edd29-500d-4b80-9a70-cec9059bae99
    Code
    144H3679JY
    Type
    PRIMARY
    Code system
    FDA UNII
Names
  1. Uuid
    4b381db4-7f55-49ba-a33a-e3adbba27f45
    Name
    1,1-BUTANEDIOL, 2,2,3-TRICHLORO-, COMPD. WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)
    StdName
    1,1-BUTANEDIOL, 2,2,3-TRICHLORO-, COMPD. WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
  2. Uuid
    7a6c11b5-6055-44a5-8b53-41581171f18e
    Name
    3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    StdName
    3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    fe807d11-8eec-42ec-9f2c-bc298825042a
  3. Uuid
    f7b82a9c-4649-40c5-8d31-96a7f3275461
    Name
    4-(DIMETHYLAMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE - 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    StdName
    4-(DIMETHYLAMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE - 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    e34d5e6e-f9bf-4dcf-9df8-8d54a62a0b5f
  4. Uuid
    d0b24402-be0d-45db-a8d7-975a92715a7a
    Name
    AMINOPYRINE BUTYLCHLORAL HYDRATE
    StdName
    AMINOPYRINE BUTYLCHLORAL HYDRATE
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    b7762fb3-e064-4d61-91cd-241a982426d0
  5. Uuid
    185f4f07-8da2-427c-964c-663a6716dd5b
    Name
    ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    StdName
    ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
  6. Uuid
    185cc7f3-d457-4458-b7bf-bcaa89dd251f
    Name
    ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLOROBUTYRALDEHYDE HYDRATE (1:1)
    StdName
    ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLOROBUTYRALDEHYDE HYDRATE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
  7. Uuid
    95180797-2e16-474d-af1a-de79c5c968f8
    Name
    ASCIATINE
    StdName
    ASCIATINE
    Type
    bn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
  8. Uuid
    e2b73730-a3e2-47c6-83bf-7e34c323dba0
    Name
    BUTYLCHLORALAMINOPYRINE
    StdName
    BUTYLCHLORALAMINOPYRINE
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7762fb3-e064-4d61-91cd-241a982426d0
  9. Uuid
    37878283-14fc-437c-a3c2-2b53c143d89e
    Name
    TRIGEMIN
    StdName
    TRIGEMIN
    Type
    bn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
References
  1. Uuid
    b7762fb3-e064-4d61-91cd-241a982426d0
    Citation
    CFSAN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    3432fc1f-ae6d-431e-bcdf-77e1a9282843
    Citation
    stn
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    e34d5e6e-f9bf-4dcf-9df8-8d54a62a0b5f
    Citation
    http://www.chemspider.com/Chemical-Structure.96469.html?rid=dcff9271-119a-4ec8-b8c3-7a4bffcaf2f3
    Url
    http://www.chemspider.com/Chemical-Structure.96469.html?rid=dcff9271-119a-4ec8-b8c3-7a4bffcaf2f3
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    fe807d11-8eec-42ec-9f2c-bc298825042a
    Citation
    SciFinder
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  5. Uuid
    cf4d6385-317a-4a7c-a969-701d813c9363
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493392003000
    Tags
    NOMEN
  6. Uuid
    fd562754-5e9f-4cb9-ba9d-3c23e3da0338
    Citation
    SRS import [144H3679JY]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=144H3679JY
    Doc type
    SRS
    Public domain
    true
    Document date
    1493392003000
    Tags
    NOMEN
  7. Uuid
    f790e19a-4374-4570-ac8c-4bcc94b6a5b2
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  8. Uuid
    2145e176-0f11-a33a-82e3-e8698cf4d678
    Citation
    EPA CompTox
    Doc type
    EPA
    Public domain
    true
Moieties
  1. Uuid
    5cb9fb50-45fb-4c80-b342-ab0a88a2b08f
    ID
    5cb9fb50-45fb-4c80-b342-ab0a88a2b08f
    Smiles
    CC(C(C(O)O)(Cl)Cl)Cl
    Formula
    C4H7Cl3O2
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    RACEMIC
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    193.4562
    Optical activity
    ( + / - )
    Stereo centers
    1
    Molfile

    Marvin 01132104482D 9 8 0 0 0 0 999 V2000 0.0000 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5858 -1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 0.0000 -0.9158 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -0.6765 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -2.3265 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6731 -2.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    d0682a9e-3ad2-44e9-a2df-6ba05ec364da
  2. Uuid
    b96242c1-85f3-4ee4-967e-00a17df4b78a
    ID
    b96242c1-85f3-4ee4-967e-00a17df4b78a
    Smiles
    Cc1c(c(=O)n(-c2ccccc2)n1C)N(C)C
    Formula
    C13H17N3O
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    231.2941
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132109352D 17 18 0 0 0 0 999 V2000 3.6333 -4.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -4.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -5.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 -3.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -3.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -4.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 -2.9652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 -2.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 -1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 -2.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 4 5 2 0 0 0 0 16 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 16 9 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 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 17 16 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    0e2e6190-eda8-4c35-aa46-3c1040f8d73b
Structure
ID
5dd50dc0-6685-400a-adc5-eef4e0a65270
Smiles
Cc1c(c(=O)n(-c2ccccc2)n1C)N(C)C.CC(C(C(O)O)(Cl)Cl)Cl
Formula
C13H17N3O.C4H7Cl3O2
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
RACEMIC
Defined stereo
0
Ez centers
0
Molecular weight
424.7502
Optical activity
( + / - )
Stereo centers
1
Molfile

Marvin 01132104512D 26 26 0 0 0 0 999 V2000 3.9068 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -2.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 -4.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -2.9659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6568 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8182 -2.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -4.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 -4.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -5.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -0.5591 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -1.9227 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 -0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7568 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 M END

References
fd562754-5e9f-4cb9-ba9d-3c23e3da0338, b7762fb3-e064-4d61-91cd-241a982426d0
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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.