5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-8-chloro-10-(2-(dimethylamino)ethyl)-5-methyl-, hydrochloride
Basic information
- CAS
15496-52-3- Standard SMILES
CN1c2ccccc2C(=O)N(CC[NH+](C)C)c2cc(Cl)ccc21.[Cl-]- InChIKey
XVVNDHSRUVYMFD-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2N3O
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.1061677
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-8-chloro-10-(2-(dimethylamino)ethyl)-5-methyl-, hydrochloride
- IUPAC
- 2-(3-chloro-11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride
Names & synonyms
15496-52-35H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-8-chloro-10-(2-(dimethylamino)ethyl)-5-methyl-, hydrochlorideRefChem:305613
Database identifiers
- CAS
15496-52-3- PubChem CID
- 27340
Properties
Computed structural properties
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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