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

CAS: 82808-81-9

Molecular Formula	`C26H24BrClN2O2`
Molecular Weight	511.8 g/mol
Topological Polar Surface Area	33.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	510.07098
Heavy Atoms	32
Complexity	714.0

Chemical Identifiers

CAS Number	82808-81-9
SMILES	`CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-]`
InChIKey	`RYTHUUOLSOEIDG-UHFFFAOYSA-M`

📖 Product Overview

3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide (CAS: 82808-81-9) is a chemical compound with molecular formula C26H24BrClN2O2 and molecular weight 511.8 g/mol. Its IUPAC systematic name is 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-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 3 Exact Mass 510.07098 Heavy Atoms 32 Complexity 714.0 InChI Key: RYTHUUOLSOEIDG-UHFFFAOYSA-M. SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-].

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide.

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