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Substance Name: 1,25-Dihydroxy-26,27-dimethylcholecalciferol
RN: 97473-92-2
InChIKey: SVILWCIGEZESEP-KBNXZVMKSA-N

Note

  • More active than calcitriol.

Molecular Formula

  • C29-H48-O3

Molecular Weight

  • 444.6952
 
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Names and Synonyms

Name of Substance

  • 1,25-Dihydroxy-26,27-dimethylcholecalciferol

Synonyms

  • 1,25-Dihydroxy-26,27-dimethylvitamin D3
  • 26,27-Dimethylcalcitriol

Systematic Name

  • 26,27-Dinor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 25,25-diethyl-, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 97473-92-2

System Generated Number

  • 0097473922

Structure Descriptors

InChI

1S/C29H48O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-13,20,24-27,30-32H,4,6-11,14-19H2,1-3,5H3/b22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1

InChIKey

SVILWCIGEZESEP-KBNXZVMKSA-N

Smiles

CCC(CC)(CCC[C@@H](C)[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