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Substance Name: Calcitriol monohydrate
RN: 77326-95-5
UNII: 97SK7L66LH
InChIKey: VMBWEMQRTFKRSU-RFHBVEJWSA-N

Molecular Weight

  • 434.6564
 
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Names and Synonyms

Name of Substance

  • Calcitriol monohydrate

Synonyms

  • (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol monohydrate
  • UNII-97SK7L66LH

Registry Numbers

CAS Registry Number

  • 77326-95-5

FDA UNII

  • 97SK7L66LH

System Generated Number

  • 0077326955

Structure Descriptors

InChI

1S/C27H44O3.H2O/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;1H2/b20-10+,21-11-;/t18-,22-,23-,24+,25+,27-;/m1./s1

InChIKey

VMBWEMQRTFKRSU-RFHBVEJWSA-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.O