5H-Dibenz(b,f)azepine, 7-chloro-10-(2-(methylamino)ethyl)-5-methyl-, fumarate

HCID 6444950

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Basic information

CAS: 30454-12-7
Standard SMILES: CNCCC1=Cc2ccccc2N(C)c2cc(Cl)ccc21.O=C(O)/C=C/C(=O)O
InChIKey: ZVYOCDNCNDFHAJ-WLHGVMLRSA-N
Molecular formula: C22H23ClN2O4
Average molar mass: 414.9 g/mol
Monoisotopic mass: 414.1346349

Names & identifiers

Preferred name: 5H-Dibenz(b,f)azepine, 7-chloro-10-(2-(methylamino)ethyl)-5-methyl-, fumarate
IUPAC: (E)-but-2-enedioic acid;2-(2-chloro-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine

Names & synonyms

30454-12-75H-Dibenz(b,f)azepine, 7-chloro-10-(2-(methylamino)ethyl)-5-methyl-, fumarateRefChem:10734427-Chloro-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine fumarate

Database identifiers

CAS: 30454-12-7
PubChem CID: 6444950

Properties

Computed structural properties

Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 500

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