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Substance Name: Atisinium chloride
RN: 4758-99-0
InChIKey: CTQGDDPQMCXQJW-NWDYWHSLSA-M

Molecular Formula

  • C22-H34-N-O2.Cl

Molecular Weight

  • 379.969
 
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Names and Synonyms

Results Name

  • Atisinium chloride

Synonyms

  • Atisine, hydrochloride
  • Atisinium chloride
  • NSC 15344
  • NSC 296347

Systematic Name

  • Atidanium, 16,17,20,21-tetradehydro-15-hydroxy-21-(2-hydroxyethyl)-4-methyl-, chloride, (15beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 4758-99-0

System Generated Number

  • 0004758990

Molecular Formulas

Molecular Formula

  • C22-H34-N-O2.Cl

Molecular Formula Fragments

  • C22-H34-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34NO2.ClH/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24;/h14,16-19,24-25H,1,3-13H2,2H3;1H/q+1;/p-1/t16-,17+,18+,19+,20-,21-,22-;/m0./s1

InChIKey

CTQGDDPQMCXQJW-NWDYWHSLSA-M

Smiles

[N+]1(=C[C@]23[C@H]4[C@@]5([C@H](O)C([C@H](C4)CC5)=C)CC[C@@H]2[C@@](C)(CCC3)C1)CCO.[ClH-]