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Substance Name: 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3
RN: 114489-80-4
InChIKey: SVMOCCGIPIDIDM-IWZDEJHGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H38-F6-O4

Molecular Weight

  • 540.581
 
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Names and Synonyms

Name of Substance

  • 26,26,26,27,27,27-Hexafluoro-1,23,25-trihydroxyvitamin D3

Synonym

  • ST 232

Systematic Names

  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,23,25-tetrol, 26,26,26,27,27,27-hexafluoro-, (1-alpha,3-beta,5Z,7E,23S)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,23,25-tetrol-26,26,26,27,27,27-hexafluoro-, (1alpha,3beta,5Z,7E,23S)-

Registry Numbers

CAS Registry Number

  • 114489-80-4

System Generated Number

  • 0114489804

Structure Descriptors

InChI

1S/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20?,21-,22?,23?,24-/m1/s1

InChIKey

SVMOCCGIPIDIDM-IWZDEJHGSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 200ug/kg (0.2mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 30, Pg. 2695, 1996.