drotaverine
(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
Molecular Identity
drotaverine
(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
PubChem CID: 1712095
Drotaverine is a member of isoquinolines.
2D Structure
Properties
C24H31NO4
Molecular Formula
397.50
Molecular Weight
g/mol
397.2253
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
49
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
511
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
drotaverineDrotaverin14009-24-6DrotaverinaDrotindihydroisoperparineDrotaverinum98QS4N58TWDTXSID601612271-Benzyl-3',4',6,7-tetraethoxy-1,2,3,4-tetrahydroisoquinolineisodihydroperparine(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline(1Z)-1-((3,4-diethoxyphenyl)methylidene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolineRefChem:135840DTXCID9083718
Data from PubChem (NCBI)
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Drug Network
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