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Chemical structure of Falecalcitriol

GC36026

Falecalcitriol

Also known as trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Falecalcitriol(Fulstan; Hornel) is an analog of calcitriol; has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo

ChemicalCAS83805-11-2MW524.58FormulaC27H38F6O3
CAS number
83805-11-2
Molecular weight
524.58
Formula
C27H38F6O3
Solubility
Soluble in DMSO
InChIKey
XPYGGHVSFMUHLH-UUSULHAXSA-N
Catalogue number
GC36026
Brand
GLPBIO
Computed properties PubChem CID 5282190 · XLogP 6.6 · TPSA 60.7 Ų · H-bond donors 3
XLogP
6.6
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
36

SMILES C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[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

Computed descriptors from PubChem (CID 5282190), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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