Translations:Alfacalcidol/1/en

Alfacalcidol/1/en
Names


Preferred IUPAC name (1R,3S,5Z)-4-Methylidene-5-[(2E)-2-{(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]octahydro-4H-inden-4-ylidene}ethylidene]cyclohexane-1,3-diol
Other names Alphacalcidol; 1-Hydroxycholecalciferol
Identifiers
CAS Number	41294-56-8^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:31186^N
ChEMBL	ChEMBL32540^N
ChemSpider	4445376^Y
DrugBank	DB01436^Y
KEGG	D01518^Y
PubChem CID	5282181
UNII	URQ2517572^Y
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1^Y Key: OFHCOWSQAMBJIW-AVJTYSNKSA-N^Y InChI=1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1 Key: OFHCOWSQAMBJIW-AVJTYSNKBM
SMILES O[C@@H]1CC(\C(=C)[C@@H](O)C1)=C\C=C2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
Properties
Chemical formula	C₂₇H₄₄O₂
Molar mass	400.64 g/mol
Melting point	136 °C (277 °F; 409 K)
Solubility in water	0.016 g/100 mL
Pharmacology
ATC code	A11CC03 (WHO)
License data	EU EMA: by INN
Legal status	UK: POM (Prescription only) EU: Rx-only