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Substance Name: 1,25-Dihydroxy-23-thiavitamin D3
RN: 87480-00-0
InChIKey: QNEWRBHWHUMBFL-SCAFWPSGSA-N

Note

  • Shows differentiation-inducing activity of human myeloid leukemia cells into macrophages.

Molecular Formula

  • C26-H42-O3-S

Molecular Weight

  • 434.681
 
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Names and Synonyms

Name of Substance

  • 1,25-Dihydroxy-23-thiavitamin D3

Synonyms

  • 1,25-DTVD3
  • 1alpha,25-Dihydroxy-23-thiavitamin D3
  • 4-Methylene-5-(2-(octahydro-1-(2-((2-hydroxy-2-methylpropyl)thio)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-1,3-cyclohexanediol (1R-(1alpha(S*),3abeta,4E(Z(1R*,3S*)),7aalpha))-

Systematic Name

  • 1,3-Cyclohexanediol, 4-methylene-5-(2-(octahydro-1-(2-((2-hydroxy-2-methylpropyl)thio)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R-(1alpha(S*),3abeta,4E(Z(1R*,3S*)),7aalpha))-

Registry Numbers

CAS Registry Number

  • 87480-00-0

System Generated Number

  • 0087480000

Structure Descriptors

InChI

1S/C26H42O3S/c1-17(15-30-16-25(3,4)29)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)18(20)2/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9+/t17?,21-,22?,23+,24+,26-/m1/s1

InChIKey

QNEWRBHWHUMBFL-SCAFWPSGSA-N

Smiles

C1[C@@H](CC(\C([C@H]1O)=C)=C\C=C1\[C@@H]2CC[C@@H]([C@@]2(CCC1)C)[C@@H](CSCC(C)(C)O)C)O