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Substance Name: 1-Epicalcitriol
RN: 66791-71-7
UNII: IR1PLU81NA
InChIKey: GMRQFYUYWCNGIN-PEJFXWBPSA-N

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Results Name

  • 1-Epicalcitriol

Name of Substance

  • 1beta-Calcitriol

Synonyms

  • 1,3-Cyclohexanediol, 4-methylene-5-((2E)-2-((1R,3aS,4E,7aR)-octahydro-1-((1R)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-
  • 1-Epicalcitriol
  • 1beta,25-Dihydroxycholecalciferol
  • 1beta,25-Dihydroxyvitamin-D3
  • 1beta-Calcitriol
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1beta,3beta,5Z,7E)-
  • Calcitriol impurity B [EP]
  • Calcitriol specified impurity B [EP]
  • NS 8
  • UNII-IR1PLU81NA

Registry Numbers

CAS Registry Number

  • 66791-71-7

FDA UNII

  • IR1PLU81NA

Other Registry Number

  • 97091-37-7

System Generated Number

  • 0066791717

Structure Descriptors

InChI

1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1

InChIKey

GMRQFYUYWCNGIN-PEJFXWBPSA-N

Smiles

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C