2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide

CAS: 62206-22-8

Molecular Formula	`C31H26BrClN2O2`
Molecular Weight	573.9 g/mol
Topological Polar Surface Area	33.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	572.0866
Heavy Atoms	37
Complexity	828.0

Chemical Identifiers

CAS Number	62206-22-8
SMILES	`COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)Cl)N=C(C3)C5=CC=C(C=C5)C6=CC=CC=C6)OC.[Br-]`
InChIKey	`KTOYWFUUSCQDDY-UHFFFAOYSA-M`

📖 Product Overview

2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide (CAS: 62206-22-8) is a chemical compound with molecular formula C31H26BrClN2O2 and molecular weight 573.9 g/mol. Its IUPAC systematic name is 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide. Topological Polar Surface Area 33.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 572.0866 Heavy Atoms 37 Complexity 828.0 InChI Key: KTOYWFUUSCQDDY-UHFFFAOYSA-M. SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)Cl)N=C(C3)C5=CC=C(C=C5)C6=CC=CC=C6)OC.[Br-].

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide.

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