1S,9R-beta-HYDRASTINE

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 (edit) Special:Contributions/ (Talk) m ← Previous diff

Current revision (05:53, 23 April 2009) (edit) (undo) Raghavagps (Talk | contribs) m (1 revision)

---

Current revision

Show 3-D Structure

Show 2-D Structure

1S,9R-beta-HYDRASTINE
Systematic (IUPAC) name
(3R)-6,7-dimethoxy-3-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
Identifiers
CAS number	?
ATC code	?
PubChem	5702143
Chemical data
Formula	C20H21NO4
Mol. mass	339.38504
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

[edit] General Properties

*Molecular Weight

339.38504

*Molecular Formula

C₂₀H₂₁NO₄

*IUPAC NAME

(3R)-6,7-dimethoxy-3-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one

*Canonical Smiles

CN1CCC2=CC=CC=C2C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

*Isomeric Smiles

CN1CCC2=CC=CC=C2[C@H]1[C@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

*XLogP

2.8

*Topological Polar Surface Area

48

[edit] External Links

• Pubchem

Link to BIAdb Database