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Substance Name: Lunacalcipol [USAN:INN]
RN: 250384-82-8
UNII: XN4TL6M50Z
InChIKey: RFQHCLMGLJGZNV-UXXOMSPDSA-N

Classification Code

  • Treatment of Secondary Hyperparathyroidism

Molecular Formula

  • C28-H42-O4-S

Molecular Weight

  • 474.7018
 
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Names and Synonyms

Name of Substance

  • Lunacalcipol [USAN:INN]

Synonyms

  • (5Z,7E,16Z,23E)-(1S,3R)-25-nor-25-t-Butylsulfonyl-9,10-seco-5,7,10(19),16,23- cholestapentaene-1,3-diol
  • (5Z,7E,16Z,23E)-24-((1,1-Dimethylethyl)sulfonyl)-9,10-secochola-5,7,10(19),16,23- pentaene-1alpha,3beta-diol
  • CTA 018
  • CTA018
  • Lunacalcipol
  • UNII-XN4TL6M50Z

Systematic Name

  • 1,3-Cyclohexanediol, 5-((2E)-2-((3aS,7aS)-1-((1R,3E)-4-((1,1-dimethylethyl)sulfonyl)-1- methyl-3-buten-1-yl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4- ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-

Registry Numbers

CAS Registry Number

  • 250384-82-8

FDA UNII

  • XN4TL6M50Z

Other Registry Number

  • 300344-63-2

System Generated Number

  • 0250384828

Structure Descriptors

InChI

1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1

InChIKey

RFQHCLMGLJGZNV-UXXOMSPDSA-N

Smiles

C1(=C\C=C2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C[C@H](C[C@@H](C1=C)O)O