(+)-Ajmaline
(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Molecular Identity
(+)-Ajmaline
(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
PubChem CID: 6100671
2D Structure
Properties
C20H26N2O2
Molecular Formula
326.40
Molecular Weight
g/mol
326.1994
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
46.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
570
Complexity
SMILES
Canonical SMILES
SMILES: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4CIsomeric SMILES
SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4CSynonyms(20)
ajmalineAjmalin(+)-AjmalineCardiorythmineGilurytmalRaugallineRauwolfine4360-12-7IgnazinMerabitolRauwolfinRhytmatonRytmalinTachmalinTakycor
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (+)-Ajmaline
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