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Substance Name: Pregn-5-ene-3,20-diol, 21-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)-
RN: 102586-30-1
InChIKey: OHKBOEWLASAFLW-DRPHTYIMSA-N

Molecular Formula

  • C24-H34-F6-O3

Molecular Weight

  • 484.5176
 
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Names and Synonyms

Synonym

  • 21-(Hydroxy(bistrifluoromethyl)methyl)pregnane-3,20-diol

Systematic Name

  • Pregn-5-ene-3,20-diol, 21-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)-

Registry Numbers

CAS Registry Number

  • 102586-30-1

System Generated Number

  • 0102586301

Structure Descriptors

InChI

1S/C24H34F6O3/c1-20-9-7-14(31)11-13(20)3-4-15-16-5-6-18(21(16,2)10-8-17(15)20)19(32)12-22(33,23(25,26)27)24(28,29)30/h3,14-19,31-33H,4-12H2,1-2H3/t14?,15-,16-,17-,18+,19?,20-,21-/m0/s1

InChIKey

OHKBOEWLASAFLW-DRPHTYIMSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(CC(C(F)(F)F)(C(F)(F)F)O)O)CC=C4[C@@]3(CCC(C4)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09324,