Falecalcitriol

Falecalcitriol
Clinical data
AHFS/Drugs.com	International Drug Names
Routes of; administration	Oral
ATC code	none;
Legal status
Legal status	In general: ℞ (Prescription only);
Identifiers
	IUPAC name (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;
CAS Number	83805-11-2 ;
PubChem CID	5282190;
IUPHAR/BPS	2781;
ChemSpider	4445383 ;
UNII	G70A8514T8;
KEGG	D01662 ;
ChEMBL	ChEMBL2106158 ;
CompTox Dashboard (EPA)	DTXSID601027560 ;
Chemical and physical data
Formula	C27H38F6O3
Molar mass	524.588 g·mol−1
3D model (JSmol)	Interactive image;
	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;
	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 ; Key:XPYGGHVSFMUHLH-UUSULHAXSA-N ;
	(what is this?) (verify)

Falecalcitriol (INN) is an analog of calcitriol. It has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo.^[1]

References

^ Okamoto S, Ejima E, Kiriyama T, et al. (1991). "Mechanism of action of newly developed vitamin D analogue". Contrib Nephrol. Contributions to Nephrology. 91: 146–8. doi:10.1159/000420171. ISBN 978-3-8055-5372-8. PMID 1666031.

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[pmid1666031-1] Okamoto S, Ejima E, Kiriyama T, et al. (1991). "Mechanism of action of newly developed vitamin D analogue". Contrib Nephrol. Contributions to Nephrology. 91: 146–8. doi:10.1159/000420171. ISBN 978-3-8055-5372-8. PMID 1666031.

[1]

Clinical data

AHFS/Drugs.com	International Drug Names
Routes of administration	Oral
ATC code	none
Legal status
Legal status	In general: ℞ (Prescription only)
Identifiers
IUPAC name (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
CAS Number	83805-11-2^Y
PubChem CID	5282190
IUPHAR/BPS	2781
ChemSpider	4445383^N
UNII	G70A8514T8
KEGG	D01662^Y
ChEMBL	ChEMBL2106158^N
CompTox Dashboard (EPA)	DTXSID601027560
Chemical and physical data
Formula	C₂₇H₃₈F₆O₃
Molar mass	524.588 g·mol⁻¹
3D model (JSmol)	Interactive image
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
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^N Key:XPYGGHVSFMUHLH-UUSULHAXSA-N^N
^NY (what is this?) (verify)