BIAdb Drotaverin 2057

BIAdb Drotaverin 2057
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	?

[edit] Description

Hungarian drug

Analgesic

*Molecular Weight

397.50724

*Exact Mass

397.225308

*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=C2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC

*XLogP

5.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

9

*Topological Polar Surface Area

49