Compound C21H22BrClN2O3

2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide

CAS: 74099-05-1

Molecular Formula	`C21H22BrClN2O3`
Molecular Weight	465.8 g/mol
Topological Polar Surface Area	50.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	464.05023
Heavy Atoms	28
Complexity	610.0

Chemical Identifiers

CAS Number	74099-05-1
SMILES	`CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-]`
InChIKey	`UJFGIZLCPFFBGQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H22BrClN2O3 (CAS: 74099-05-1) is a chemical compound with molecular formula C21H22BrClN2O3 and molecular weight 465.8 g/mol. Its IUPAC systematic name is 2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide. Topological Polar Surface Area 50.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 464.05023 Heavy Atoms 28 Complexity 610.0 InChI Key: UJFGIZLCPFFBGQ-UHFFFAOYSA-N. SMILES: CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-].

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