Molecular Identity
papaverine
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
PubChem CID: 4680
Papaverine is a benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. It has a role as a vasodilator agent and an antispasmodic drug. It is a benzylisoquinoline alkaloid, a member of isoquinolines and a dimethoxybenzene.
2D Structure
Properties
C20H21NO4
Molecular Formula
339.40
Molecular Weight
g/mol
339.1471
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
407
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
papaverine58-74-2Robaxapap1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline6,7-Dimethoxy-1-veratrylisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolinePavacapPapaverinumDAA13NKG2QIsoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinolineNSC-136630Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-DTXSID4023418Pavatym
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to papaverine
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