147657-22-5

Basic information

• Product Name: CALCIPOTRIOL MONOHYDRATE
• Synonyms: CALCIPOTRIOL MONOHYDRATE;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol hydrate;(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol monohydrate;1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,hydrate (1:1), (1R,3S,5Z)-
• CAS NO: 147657-22-5
• Molecular Formula: C27H40O3.H2O
• Molecular Weight: 430.625
• Product Categories: API intermediates;API
• Mol File: 147657-22-5.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Solubility: Practically insoluble in water, freely soluble in ethanol (96 per cent), slightly soluble in methylene chloride.
• CAS DataBase Reference: CALCIPOTRIOL MONOHYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: CALCIPOTRIOL MONOHYDRATE(147657-22-5)
• EPA Substance Registry System: CALCIPOTRIOL MONOHYDRATE(147657-22-5)

Safety Data

• Hazardous Substances Data: 147657-22-5(Hazardous Substances Data)

Usage

Chemical Properties

White or almost white, crystalline powder.

Definition

ChEBI: A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients.

Uses

Vitamin D analogue.

InChI:InChI=1/C27H40O3.H2O/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;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25?,26+,27-;/m1./s1

Upstream product

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