Substances (GSRS)

2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-

Also: 3-Hydroxy Flubromazepam, 7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one

chemicalUNII XQ3ZSY7MPX
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
1ea0d557-9b1a-48e9-a6c9-bfa2494c4483
Version
6
UNII
XQ3ZSY7MPX
Codes
  1. Uuid
    29f434dc-3b75-42a4-b13d-969b9a6ba8d8
    Code
    13126012
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/13126012
    Code system
    PUBCHEM
    References
    602a1714-ab42-444e-aea1-7b6e12d1a4a6
  2. Uuid
    ca0e1145-93b2-42ea-b0e2-e8b5f78a7790
    Code
    XQ3ZSY7MPX
    Type
    PRIMARY
    Code system
    FDA UNII
  3. Uuid
    bfa744d0-b66a-2e07-5417-96651cdec339
    Code
    DTXSID801017177
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID801017177
    Code system
    EPA CompTox
    References
    713e4932-cade-d8e6-0d18-ea51c4de4218
  4. Uuid
    74f7622d-b44c-4079-9d8c-f558826f345b
    Code
    62659-65-8
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=62659-65-8
    Code system
    CAS
    References
    86e73c0a-61e3-4666-ac65-20b25ce44ef6
References
  1. Uuid
    602a1714-ab42-444e-aea1-7b6e12d1a4a6
    Citation
    PUBCHEM
    Doc type
    PUBCHEM
    Public domain
    true
  2. Uuid
    713e4932-cade-d8e6-0d18-ea51c4de4218
    Citation
    EPA CompTox
    Doc type
    EPA
    Public domain
    true
  3. Uuid
    3fbbcc3e-11e3-4d3f-a653-466e21eecf4b
    Citation
    https://www.caymanchem.com/product/37849/
    Url
    https://www.caymanchem.com/product/37849/
    Doc type
    MANUFACTURER PRODUCT DESCRIPTION
    Public domain
    true
  4. Uuid
    86e73c0a-61e3-4666-ac65-20b25ce44ef6
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
Moieties
  1. Uuid
    31721762-9f52-4660-8e56-a87a99e1dab4
    ID
    31721762-9f52-4660-8e56-a87a99e1dab4
    Smiles
    c1ccc(c(c1)C2=NC(C(=O)Nc3ccc(cc32)Br)O)F
    Formula
    C15H10BrFN2O2
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    RACEMIC
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    349.1546
    Optical activity
    ( + / - )
    Stereo centers
    1
    Molfile

    7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one CDK 07082415492D 62659-65-8 Copyright (C) 2024 ACS 21 23 0 0 0 0 0 0 0 0999 V2000 6.3012 7.7844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 8.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 5.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 3.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 6.5045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 3.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 2.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 6.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 4.3469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 5.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 5.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0712 6.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0712 3.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 6.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 3.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3812 5.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    b025bb4d-ae35-4492-afad-36d07abd2fe5
Structure
ID
4f1d597b-b64e-4b56-ae6e-dbbb54d8fc0a
Smiles
c1ccc(c(c1)C2=NC(C(=O)Nc3ccc(cc32)Br)O)F
Formula
C15H10BrFN2O2
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
RACEMIC
Defined stereo
0
Ez centers
0
Molecular weight
349.1546
Optical activity
( + / - )
Stereo centers
1
Molfile

7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one JSDraw207082415492D 21 23 0 0 0 0 0 V2000 26.7995 -4.0390 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 22.6946 -3.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2249 -11.9244 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.4165 -5.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2395 -6.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5625 -8.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5625 -5.3355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0418 -8.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6237 -9.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0418 -4.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8221 -7.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5819 -9.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1638 -10.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8221 -5.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6430 -11.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7995 -6.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5795 -5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5795 -8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1395 -5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1395 -8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9195 -6.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END

References
86e73c0a-61e3-4666-ac65-20b25ce44ef6
Relationships
  1. Uuid
    3350c362-9bd6-459e-abf4-0546aba1d136
    Type
    PARENT->METABOLITE
    Amount
    Uuid
    46406a6b-1095-4745-86c6-2a075e582992
    References
    3fbbcc3e-11e3-4d3f-a653-466e21eecf4b
    Related substance
    Uuid
    9e19d299-2e9a-4861-940f-c87b6143d00d
    Refuuid
    e901ebd9-da44-4eef-86e0-a034b96c503e
    Name
    FLUBROMAZEPAM
    UNII
    GKX573279U
    Linking ID
    GKX573279U
    Ref pname
    FLUBROMAZEPAM
    Substance class
    reference
Names
  1. Uuid
    61ba171f-4a76-420e-b9e4-307fa747da0f
    Name
    2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-
    StdName
    2H-1,4-BENZODIAZEPIN-2-ONE, 7-BROMO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    86e73c0a-61e3-4666-ac65-20b25ce44ef6
  2. Uuid
    577eaa72-08bc-4892-a6df-73db4b3ff356
    Name
    3-Hydroxy Flubromazepam
    StdName
    3-HYDROXY FLUBROMAZEPAM
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    3fbbcc3e-11e3-4d3f-a653-466e21eecf4b
  3. Uuid
    d328a453-cb46-4d14-8355-ad6d58e28ab4
    Name
    7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
    StdName
    7-BROMO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    86e73c0a-61e3-4666-ac65-20b25ce44ef6
Modifications
Uuid
0f7374a0-8cda-449f-b7d8-571e04de6c5a
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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.