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Substance Name: Tacalcitol monohydrate
RN: 93129-94-3
UNII: B3Q63NVN9R
InChIKey: UCLYOJXQGOXQKJ-XXBHHXRKSA-N

Molecular Weight

  • 434.6564
 
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Names and Synonyms

Name of Substance

  • Tacalcitol monohydrate

Synonyms

  • (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol monohydrate
  • UNII-B3Q63NVN9R

Registry Numbers

CAS Registry Number

  • 93129-94-3

FDA UNII

  • B3Q63NVN9R

System Generated Number

  • 0093129943

Structure Descriptors

InChI

1S/C27H44O3.H2O/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4;/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3;1H2/b20-9+,21-10-;/t18-,22-,23-,24+,25-,26+,27-;/m1./s1

InChIKey

UCLYOJXQGOXQKJ-XXBHHXRKSA-N

Smiles

C[C@H](CC[C@H](C(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