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Substance Name: 5,6-trans-Calcipotriol
RN: 113082-99-8
UNII: QRA3492A7Q
InChIKey: LWQQLNNNIPYSNX-GMGGYIQASA-N

Molecular Weight

  • 412.61
 
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Names and Synonyms

Results Name

  • 5,6-trans-Calcipotriol

Name of Substance

  • Calcipotriol, (5E)-

Synonyms

  • (5E)-Calcipotriene
  • (5E)-Calcipotriol
  • (5E,7E,22E,24S)-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,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3S,5E)-
  • 5,6-trans-Calcipotriol
  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5E,7E,22E,24S)-
  • Calcipotriol, (5E)-
  • Calcipotriol, anhydrous impurity C [EP]
  • Calcipotriol, anhydrous specified impurity C [EP]
  • PRI 2205
  • PRI-2205
  • UNII-QRA3492A7Q

Registry Numbers

CAS Registry Number

  • 113082-99-8

FDA UNII

  • QRA3492A7Q

System Generated Number

  • 0113082998

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-GMGGYIQASA-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