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Substance Name: Calcipotriol, 24R-
RN: 112827-99-3
UNII: TYF37XV46I
InChIKey: LWQQLNNNIPYSNX-CIJZWTHJSA-N

Molecular Weight

  • 412.61
 
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Names and Synonyms

Name of Substance

  • Calcipotriol, 24R-

Synonyms

  • (5Z,7E,22E,24R)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
  • 1,3-Cyclohexanediol, 5-((2E)-2-((1R,3aS,7aR)-1-((1R,2E,4R)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3S,5Z)-
  • 24-epi--Calcipotriol
  • 24R-Calcipotriene
  • 24R-Calcipotriol
  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24R)-
  • Calcipotriol, 24R-
  • Calcipotriol, anhydrous impurity D [EP]
  • Calcipotriol, anhydrous specified impurity D [EP]
  • PRI 2202
  • PRI-2202
  • UNII-TYF37XV46I

Registry Numbers

CAS Registry Number

  • 112827-99-3

FDA UNII

  • TYF37XV46I

System Generated Number

  • 0112827993

Structure Descriptors

InChI

1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25+,26+,27-/m1/s1

InChIKey

LWQQLNNNIPYSNX-CIJZWTHJSA-N

Smiles

C[C@H](/C=C/[C@@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C