Tacalcitol Monohydrate
Product Specifications
CAS Number
93129-94-3
Synonyms
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, hydrate (1:1), (1R,3S,5Z)-; ,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, monohydrate, (1alpha,3beta,5Z,7E,24R)- (9CI); 1alpha,24(R)-Dihydroxy-vitamin D3 monohydrate; 1alpha,24(R)-Dihydroxycholecalciferol monohydrate; Tacalcitol monohydrate
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: I
Purity
>95% (HPLC)
Smiles
O.CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
Molecular Formula
C27 H44 O3 . H2 O
Molecular Weight
434.65
InChI
InChI=1S/C27H44O3.H2O/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4;/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3;1H2/b20-9+,21-10-;/t18-,22-,23-,24+,25-,26+,27-;/m1./s1
Additionnal Information
IUPAC name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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