Amurensine

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Basic information

CAS: 10481-92-2
Standard SMILES: COc1cc2c(cc1O)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3
InChIKey: BXWVSGUITWLTOD-CABCVRRESA-N
Molecular formula: C19H19NO4
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.13140809

Overview

Amurensine is a member of isoquinolines.

Names & identifiers

Preferred name: Amurensine
IUPAC: (1S,11R)-15-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-14-ol

Names & synonyms

Amurensine10481-92-2C09333CHEBI:2688DTXSID70331757(1S,11R)-15-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-14-olNS00094784Q4748992(5R,11S)-8-Methoxy-13-methyl-10,11-dihydro-2H,5H-11,5-(epiminomethano)benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d][1,3]dioxol-7-ol

Database identifiers

CAS: 10481-92-2、38695-42-0
PubChem CID: 442164
DTXSID: DTXSID70331757
ChEBI: CHEBI:2688

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 488

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Related reactions

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Compound notes

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