Atisine, hydrochloride

(1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azoniapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-6-ol chloride

Also Known As: Atisinium chloride|Atisine hydochloride|Atisine, hydrochloride|KST-1A5130|(15|A)-15-hydroxy-21-(2-hydroxyethyl)-4-methylatida-16,20-dien-21-ium chloride|Atidanium, 16,17,20,21-tetradehydro-15-hydroxy-21-(2-hydroxyethyl)-4-methyl-, chloride, (15beta)-|Atidanium,17,20,21-tetradehydro-15-hydroxy-21-(2-hydroxyethyl)-4-methyl-, chloride, (15.beta.)-

Molecular Formula	C22H34ClNO2
Molecular Weight	379.2278 g/mol
Topological Polar Surface Area	43.47 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	379.2278
Heavy Atoms	26
Complexity	648.1

Chemical Identifiers

CAS Number	4758-99-0
SMILES	C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC(CC4)C(=C)[C@H]5O)C=[N+](C2)CCO.[Cl-]