3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino(1,2-b)(3)benzazepine-6,14-dione

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Basic information

CAS: 91897-61-9
Standard SMILES: COc1cc2c(cc1OC)C(=O)C1c3ccc(OC)c(OC)c3CC(=O)N1CC2
InChIKey: SRADCDOQSQOROE-UHFFFAOYSA-N
Molecular formula: C22H23NO6
Average molar mass: 397.4 g/mol
Monoisotopic mass: 397.15253745

Overview

See also: Saulatine (annotation moved to).

Names & identifiers

Preferred name: 3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino(1,2-b)(3)benzazepine-6,14-dione
IUPAC: 3,4,11,12-tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[2,1-c][3]benzazepine-6,14-dione

Names & synonyms

DTXSID009194663,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino(1,2-b)(3)benzazepine-6,14-dione3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[1,2-b][3]benzazepine-6,14-dioneRefChem:1065648DTXCID50134839591897-61-9SaulatineIsoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-, (+-)-

Database identifiers

CAS: 91897-61-9
PubChem CID: 185141
DTXSID: DTXSID00919466

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 626

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Compound notes

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