Compound C25H21Br2ClN2O2

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

CAS: 82808-82-0

Molecular Formula	`C25H21Br2ClN2O2`
Molecular Weight	576.7 g/mol
Topological Polar Surface Area	33.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	575.9638
Heavy Atoms	32
Complexity	720.0

Chemical Identifiers

CAS Number	82808-82-0
SMILES	`COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC.[Br-]`
InChIKey	`PBJLPNSUMIXPGV-UHFFFAOYSA-M`

📖 Product Overview

Compound C25H21Br2ClN2O2 (CAS: 82808-82-0) is a chemical compound with molecular formula C25H21Br2ClN2O2 and molecular weight 576.7 g/mol. Its IUPAC systematic name is 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-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 575.9638 Heavy Atoms 32 Complexity 720.0 InChI Key: PBJLPNSUMIXPGV-UHFFFAOYSA-M. SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC.[Br-].

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