(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
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![(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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c75c88aa93a24aa2a6cf748d67d060f2.png "(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")
(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
structure -
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CAS No:
4758-99-0
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Formula:
C22H34ClNO2
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Chemical Name:
(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
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Synonyms:
atisinium chloride;Atisine, hydrochloride;Atisinium chloride;NSC15344;4758-99-0;Atisine hydochloride;NSC 15344;NSC-15344;NSC 296347;Atidanium,17,20,21-tetradehydro-15-hydroxy-21-(2-hydroxyethyl)-4-methyl-, chloride, (15.beta.)-;Atidanium, 16,17,20,21-tetradehydro-15-hydroxy-21-(2-hydroxyethyl)-4-methyl-, chloride, (15beta)- (9CI)
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CAS No:
(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 Basic Attributes
380.0 g/mol
379.2278070 g/mol
15344
Computed Properties
Molecular Weight:380.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:379.2278070
Monoisotopic Mass:379.2278070
Topological Polar Surface Area:43.5
Heavy Atom Count:26
Complexity:642
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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