[(12R,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol

HCID 335205

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Basic information

CAS: 78987-04-9
Standard SMILES: COc1cc2c(cc1OC)[C@H]1[C@H](CO)c3ccc4c(c3CN1CC2)OCO4
InChIKey: QDPATENPRXQNAO-UZLBHIALSA-N
Molecular formula: C21H23NO5
Average molar mass: 369.4 g/mol
Monoisotopic mass: 369.15762283

Names & identifiers

Preferred name: [(12R,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
IUPAC: [(12R,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol

Names & synonyms

NSC34365178987-04-9DTXSID60319302NSC-343651[(6R,6aR)-8,9-Dimethoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-6-yl]methanol

Database identifiers

CAS: 78987-04-9
PubChem CID: 335205
DTXSID: DTXSID60319302

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 533

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