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Substance Name: Inecalcitol [INN]
RN: 163217-09-2
UNII: 05FZV98342
InChIKey: HHGRMHMXKPQNGF-WNSNRMDMSA-N

Molecular Formula

  • C26-H40-O3

Molecular Weight

  • 400.599
 
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Names and Synonyms

Name of Substance

  • Inecalcitol [INN]

Synonyms

  • (7E)-19-Nor-9,10-seco-14beta-cholesta-5,7-dien-23-yne-1alpha,3beta,25-triol
  • Inecalcitol
  • TX 522
  • UNII-05FZV98342

Registry Numbers

CAS Registry Number

  • 163217-09-2

FDA UNII

  • 05FZV98342

System Generated Number

  • 0163217092

Structure Descriptors

InChI

1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1

InChIKey

HHGRMHMXKPQNGF-WNSNRMDMSA-N

Smiles

C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C