Basic information
- CAS
67739-71-3- Standard SMILES
CN1C(=O)C(O)N=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21- InChIKey
KJTUBZKMFRILQD-UHFFFAOYSA-N- Molecular formula
- C16H12FN3O4
- Average molar mass
- 329.28 g/mol
- Monoisotopic mass
- 329.08118403
Overview
metabolite of flunitrazepam; structure in first source
Names & identifiers
- Preferred name
- 3-Hydroxyflunitrazepam
- IUPAC
- 5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
- English name
- 3-hydroxyflunitrazepam
- Molecular formula
- C16H12FN3O4
- Molecular weight
- 329.28
Names & synonyms
3-Hydroxyflunitrazepam67739-71-3KZ7TC72WAA5-(2-Fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-oneDTXSID90987073RefChem:94309DTXCID0014142441,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one3-Hydroxy FlunitrazepamDP 3273-Hydroxyflunitrazepam; 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-7-nitro-
Show more names
Diclofop Impurity 53-Hydroxyflunitrazepam, 1mg/ml in Acetonitrile2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-7-nitro-
UNII-KZ7TC72WAA2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-oneSCHEMBL10968440SCA73971PD076223HY-121057NS00116040
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 25 mg/ml; Ethanol: 1 mg/ml
- form
- A crystalline solid
- FDA UNII
- 7 TC72WAA · KZ7TC72WAA
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-hydroxyflunitrazepam is a known human metabolite of flunitrazepam.
Applications
Uses3-Hydroxyflunitrazepam-13C,d3, is the labeled analogue of 3-Hydroxyflunitrazepam (H942425), which is a metabolite of Flunitrazepam (F500700).
Suppliers2 total
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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