BIAdb Roemerine 3111

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Revision as of 11:29, 20 November 2009

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BIAdb Roemerine 3111
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	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Hornschuchia obliqua

Function

Adrenergic alpha-blocker

General Properties

*Molecular Weight

279.33308

*Exact Mass

279.125929

*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

*Hydrogen bond donor

0

*Hydrogen bond acceptor

3

*Rotational Bond Count

0

*Topological Polar Surface Area

21.7

External Links

• Pubchem

Link to BIAdb Database