Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-ethyl-

7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one

CAS: 54971-42-5

Molecular Formula	`C21H24N2O3`
Molecular Weight	352.4 g/mol
LogP	3.3
Topological Polar Surface Area	50.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	352.17868
Heavy Atoms	26
Complexity	513.0

Chemical Identifiers

CAS Number	54971-42-5
SMILES	`CCC1C(=O)NC2=CC=CC=C2C3N1CCC4=CC(=C(C=C34)OC)OC`
InChIKey	`MJRBITKFRUYHCC-UHFFFAOYSA-N`

📖 Product Overview

Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-ethyl- (CAS: 54971-42-5) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.4 g/mol. Its IUPAC systematic name is 7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one. LogP 3.3 Topological Polar Surface Area 50.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 352.17868 Heavy Atoms 26 Complexity 513.0 InChI Key: MJRBITKFRUYHCC-UHFFFAOYSA-N. SMILES: CCC1C(=O)NC2=CC=CC=C2C3N1CCC4=CC(=C(C=C34)OC)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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