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Calcipotriol-[d4]

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General Information
Catalog: BLP-003495
Molecular Formula: C27H36D4O3
Molecular Weight: 416.62

Chemical Structure

Description	Calcipotriol-[d4], is the labelled analogue of Calcipotriol. Calcipotriol is a synthetic derivative of calcitriol, a form of vitamin D. It is used in the treatment of psoriasis. It is safe for long-term application in psoriatic skin conditions.
Synonyms	Calcipotriol D4
IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-hydroxy-5-(2,2,3,3-tetradeuteriocyclopropyl)pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS	112965-21-6 (unlabelled)
Canonical SMILES	CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
InChI	InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1/i8D2,9D2
InChI Key	LWQQLNNNIPYSNX-DIBUCSFBSA-N
Purity	95% by HPLC; 98% atom D