3,4,10,11-Tetramethoxy-6,6a,7,8-tetrahydrochromeno(4,3-b)(1,5)benzodiazepine

HCID 337028

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Basic information

CAS: 72334-29-3
Standard SMILES: COc1cc2c(cc1OC)NCC1COc3c(ccc(OC)c3OC)C1=N2
InChIKey: FKEQUFRFATVYEY-UHFFFAOYSA-N
Molecular formula: C20H22N2O5
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.15287181

Names & identifiers

Preferred name: 3,4,10,11-Tetramethoxy-6,6a,7,8-tetrahydrochromeno(4,3-b)(1,5)benzodiazepine
IUPAC: 3,4,10,11-tetramethoxy-6,6a,7,8-tetrahydrochromeno[3,4-c][1,5]benzodiazepine

Names & synonyms

72334-29-3NSC353646NSC 3536463,4,10,11-Tetramethoxy-6,6a,7,8-tetrahydrochromeno(4,3-b)(1,5)benzodiazepineNSC-3536463,4,10,11-Tetramethoxy-6,6a,7,8-tetrahydrochromeno[4,3-b][1,5]benzodiazepineB8BYD7MER33,4,10,11-tetramethoxy-6,6a,7,8-tetrahydrochromeno[3,4-c][1,5]benzodiazepine[1]Benzopyrano[4,3-b][1,5]benzodiazepine, 6,6a,7,8-tetrahydro-3,4,10,11-tetramethoxy-[1]Benzopyrano[4,5]benzodiazepine, 6,6a,7,8-tetrahydro-3,4,10,11-tetramethoxy-6,6a,7,8-Tetrahydro-3,4,10,11-tetramethoxy[1]benzopyrano[4,3-b][1,5]benzodiazepine{[1]Benzopyrano[4,3-b][1,5]benzodiazepine,} 6,6a,7,8-tetrahydro-3,4, 10,11-tetramethoxy-

Database identifiers

CAS: 72334-29-3
PubChem CID: 337028
UNII: B8BYD7MER3

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 544

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