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Substance Name: Ajaconine sulfate heptahydrate
RN: 25378-36-3
UNII: 0265ON191Z
InChIKey: IXHGLOQGWHNBAB-GFJUXCKQSA-N

Molecular Formula

  • 2C22-H33-N-O3.14H2-O.H2-O4-S

Molecular Weight

  • 1069.2984
 
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Names and Synonyms

Name of Substance

  • Ajaconine sulfate heptahydrate

Synonyms

  • Ajaconine sulfate heptahydrate
  • Ajaconine sulfate heptahydrate [MI]
  • Ajaconine, sulfate (2:1) (salt), heptahydrate
  • UNII-0265ON191Z

Registry Numbers

CAS Registry Number

  • 25378-36-3

FDA UNII

  • 0265ON191Z

System Generated Number

  • 0025378363

Structure Descriptors

InChI

1S/2C22H33NO3.H2O4S.14H2O/c2*1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21;1-5(2,3)4;;;;;;;;;;;;;;/h2*14-19,24-25H,1,3-12H2,2H3;(H2,1,2,3,4);14*1H2/t2*14-,15+,16-,17+,18+,19+,20-,21-,22+;;;;;;;;;;;;;;;/m00.............../s1

InChIKey

IXHGLOQGWHNBAB-GFJUXCKQSA-N

Smiles

C[C@@]12CCC[C@]34[C@@H]1C[C@H]([C@]56[C@H]3C[C@H](CC5)C(=C)[C@H]6O)O[C@H]4N(C2)CCO.C[C@@]12CCC[C@]34[C@@H]1C[C@H]([C@]56[C@H]3C[C@H](CC5)C(=C)[C@H]6O)O[C@H]4N(C2)CCO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.OS(=O)(=O)O