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Basic information
- CAS
58-25-3- Standard SMILES
CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1- InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0825398
Names & identifiers
- Preferred name
- 7-Chloro-2-(methylimino)-5-phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-ol
- IUPAC
- 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
Names & synonyms
DTXSID408619357-Chloro-2-(methylimino)-5-phenyl-2,3-dihydro-4H-1,4-benzodiazepin-4-olRefChem:1074385DTXCID80810785chlordiazepoxide58-25-3MethaminodiazepoxideLibreleaseLibritabsEleniumLibriumClopoxide
Show more names
ClordiazepoxidoRadepurLygenChlordiazepoxide HclChlordiazachelContol7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide
Database identifiers
- CAS
58-25-3- PubChem CID
- 2712
- DTXSID
DTXSID40861935- ChEBI
CHEBI:94781- UNII
- 6RZ6XEZ3CR
- Nikkaji
- J2.332I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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