Roemerine

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Revision as of 00:00, 15 January 2001

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Roemerine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	119204
Chemical data
Formula	C18H17NO2
Mol. mass	279.33308
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (R)-isomer; synonym aporeine refers to (S)-isomer; structure in Merck Index, 9th ed, #779

General Properties

*Molecular Weight

279.33308

*Molecular Formula

C₁₈H₁₇NO₂

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3

*Isomeric Smiles

CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3

*XLogP

3.3

*Topological Polar Surface Area

21.7

External Links

• Pubchem

Link to BIAdb Database