Chemical Compound

Inecalcitol

CAS Registry Number 163217-09-2
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Inecalcitol chemical structure
Primary Record

Inecalcitol

In stock
5,966 g
Purity
99.7 %
CAS
163217-09-2

Compound Identifiers & Properties

CAS
163217-09-2
PubChem CID
9952841
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
Canonical SMILES
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

Names & Synonyms

  • Inecalcitol
  • ZINC12504515
  • AC-8882
  • CID9952841
  • 217I092
  • 163217-09-2
  • 19-NOR-14-EPI-23-YNE-1,25 DIHYDROXYVITAMIN D3, TX522
  • (1R,3R)-5-[(2E)-2-[(1R,3As,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (7E)-19-nor-9,10-seco-14bet-cholesta-5,7-dien-23-yne-, 1alpha, 3beta, 25-triol