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Dazepinil

HCID 53432
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Basic information

CAS
75241-19-9
Standard SMILES
CC1=Nc2ccccc2CC(c2ccccc2)N1C
InChIKey
STDYWHYUOSSCBO-UHFFFAOYSA-N
Molecular formula
C17H18N2
Average molar mass
250.34 g/mol
Monoisotopic mass
250.14699858

Names & identifiers

Preferred name
Dazepinil
IUPAC
2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
English name
4,5-dihydro-2,3-dimethyl-4-phenyl-3H-1,3-benzodiazepine
Molecular weight
0

Names & synonyms

DazepinilDazepinil [INN]75991-50-375241-19-9730EPY2HSM2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine3H-1,3-Benzodiazepine, 4,5-dihydro-2,3-dimethyl-4-phenyl-(+/-)-4,5-dihydro-2,3-dimethyl-4-phenyl-3h-1,3-benzodiazepineP-762543CHEMBL1204338UNII-730EPY2HSMDazepinilo
Show more names
4,5-Dihydro-2,3-dimethyl-4-phenyl-3H-1,3-benzodiazepineDTXSID20996719Dazepinil Free BaseSCHEMBL499286CHEMBL1170422,3-Dimethyl-4-phenyl-4,5-dihydro-3H-1,3-benzodiazepineBDBM50367064Q27266112

Database identifiers

CAS
75241-19-9、75991-50-3
PubChem CID
53432
DTXSID
DTXSID20996719
ChEMBL
CHEMBL117042
UNII
730EPY2HSM
Nikkaji
J22.794C

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
15.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
330

Related reactions

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Compound notes

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