Falecalcitriol

CAS Registry Number®

83805-11-2

CAS Name

Falecalcitriol

Molecular Formula

C27H38F6O3

Molecular Mass

524.58

Cite this Page

Falecalcitriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83805-11-2 (retrieved 2024-11-22) (CAS RN: 83805-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1

InChIKey

InChIKey=XPYGGHVSFMUHLH-UUSULHAXSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C(F)(F)F)(C(F)(F)F)O)C)[H])[H]

Canonical SMILES

FC(F)(F)C(O)(CCCC(C)C1CCC2C(=CC=C3C(=C)C(O)CC(O)C3)CCCC21C)C(F)(F)F

Other Names for this Substance

  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,4S,5Z)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 26,26,26,27,27,27-hexafluoro-, (1α,3β,5Z,7E)-
  • (1R,4S,5Z)-4-Methylene-5-[(2E)-2-[1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • 26,26,26,27,27,27-Hexafluoro-1,25-dihydroxyvitamin D3
  • Ro 23-4194

View All

Deleted or Replaced CAS Registry Numbers

124817-41-0, 131836-68-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration