Drotaverin

From DrugPedia: A Wikipedia for Drug discovery

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

Revision as of 05:34, 23 April 2009 (edit) (undo) Raghavagps (Talk | contribs) m (1 revision) Next diff →

---

Revision as of 05:34, 23 April 2009

Show 3-D Structure

Show 2-D Structure

Drotaverin
Systematic (IUPAC) name
(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	1712095
Chemical data
Formula	C24H31NO4
Mol. mass	397.50724
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

Hungarian drug; RN given refers to parent cpd; structure

General Properties

*Molecular Weight

397.50724

*Molecular Formula

C₂₄H₃₁NO₄

*IUPAC NAME

(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline

*Canonical Smiles

CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC

*Isomeric Smiles

CCOC1=C(C=C(C=C1)C=C/2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC

*XLogP

4.9

*Topological Polar Surface Area

49

External Links

• Pubchem

Link to BIAdb Database