BIAdb Narcein 2744

BIAdb Narcein 2744
Systematic (IUPAC) name
6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Identifiers
CAS number	?
ATC code	?
PubChem	8564
Chemical data
Formula	C₂₃H₂₇NO₈
Mol. mass	445.46238
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Papaver rhopalothece

Antitussive

*Molecular Weight

445.46238

*Exact Mass

445.173667

*Molecular Formula

C₂₃H₂₇NO₈

*IUPAC NAME

6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid

*Canonical Smiles

CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2

*Isomeric Smiles

N/A

*XLogP

0.5

*Hydrogen bond donor

1

*Hydrogen bond acceptor

9

*Rotational Bond Count

10

*Topological Polar Surface Area

104