BIAdb Isocorypalmine 2408

BIAdb Isocorypalmine 2408
Systematic (IUPAC) name
(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Identifiers
CAS number	?
ATC code	?
PubChem	440229
Chemical data
Formula	C₂₀H₂₃NO₄
Mol. mass	341.40092
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Hydrastis canadensis

Smooth muscle relaxant

*Molecular Weight

341.40092

*Exact Mass

341.162708

*Molecular Formula

C₂₀H₂₃NO₄

*IUPAC NAME

(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol

*Canonical Smiles

COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC

*Isomeric Smiles

COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC

*XLogP

2.9

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

51.2