BIAdb Noscapine 2808

BIAdb Noscapine 2808
Systematic (IUPAC) name
6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride
Identifiers
CAS number	?
ATC code	?
PubChem	13500
Chemical data
Formula	C₂₂H₂₄ClNO₇
Mol. mass	449.88146
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Antitussive

*Molecular Weight

449.88146

*Exact Mass

449.12413

*Molecular Formula

C₂₂H₂₄ClNO₇

*IUPAC NAME

6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride

*Canonical Smiles

C[NH+]1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]

*Isomeric Smiles

C[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

76.9