Basic information
- CAS
1694-78-6- Standard SMILES
Clc1ccc2c(c1)C(c1ccccc1)=NCCN2- InChIKey
JZWOKDTXYPEJEW-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0767261
Overview
structure
Names & identifiers
- Preferred name
- Desmethylmedazepam
- IUPAC
- 7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
- English name
- 7-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepine
- Molecular formula
- C15H13ClN2
- Molecular weight
- 256.73
Names & synonyms
Desmethylmedazepam1694-78-6DTXSID90168709RefChem:132243DTXCID7091200Normedazepam7-Chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepineRo 5-29257-chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepine1H-1,4-BENZODIAZEPINE, 7-CHLORO-2,3-DIHYDRO-5-PHENYLBRN 07490487-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepine; 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine; 7-Chloro-5-phenyl-1,2-dihydro-3H-1,4-benzodiazepine; Desmethylmedazepam; N-Desmethylmedazepam; Ro 5-2925
Show more names
Ro-5-2925N-Desmethylmedazepam1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-5-phenyl-
N-Desmethyl-medazepam5-23-09-00035 (Beilstein Handbook Reference)SCHEMBL11460470SCHEMBL29414926BAA694787-chloro-5-phenyl-2,3-dihydro-1H-[1,4]benzodiazepine7-Chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine #
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 174 · 174-176 °C
- Boiling point
- 394.9 · 394.9±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.18 · 6.18±0.10(Predicted)
- color
- Light Yellow
Chemistry & industry
Applications
UsesNormedazepam is a metabolite of medazepam. Medazepam (CAS# 2898-12-6) is an anxiolytic.
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
4 records
Compound notes
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