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CALCIPOTRIOL MONOHYDRATE

CALCIPOTRIOL MONOHYDRATE Structure
CAS No.
147657-22-5
Chemical Name:
CALCIPOTRIOL MONOHYDRATE
Synonyms
Calcipotriol monohydrate CRS;CALCIPOTRIOL MONOHYDRATE;Calcipotriol (Calcipotriene) Monohydrate;(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol;(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate;(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;(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)-
CBNumber:
CB8588339
Molecular Formula:
C27H42O4
Molecular Weight:
430.63
MOL File:
147657-22-5.mol
Modify Date:
2024/7/2 8:55:37

CALCIPOTRIOL MONOHYDRATE Properties

storage temp. 4°C, protect from light, stored under nitrogen,unstable in solution, ready to use.
solubility Practically insoluble in water, freely soluble in ethanol (96 per cent), slightly soluble in methylene chloride.
form Powder
color White to off-white
Stability Hygroscopic, Light sensitive
InChIKey XBKHACNRWFKJNC-IZXATKCONA-N
SMILES C[C@]12CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@]1([H])CC[C@]2([H])[C@H](C)/C=C/[C@H](C1CC1)O.O |&1:1,10,13,17,21,23,27,r|

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS06
Signal word  Danger
Hazard statements  H310
Precautionary statements  P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
NFPA 704
0
4 0

CALCIPOTRIOL MONOHYDRATE Chemical Properties,Uses,Production

Description

Calcipotriol (hydrate) is a low-calcemic vitamin D receptor (VDR) agonist. Calcipotriol (hydrate) is about 200 times less potent in its effects on calcium metabolism than vitamin D (1,25[OH]D3). Binding of calcipotriol (hydrate) to the VDR increases AP-1, a transcription factor important for keratinocyte differentiation, and reduces expression of JunB protein, a transcriptional activator in the inflammatory response. Calcipotriol (hydrate) also induces expression of thymic stromal lymphopoietin, which triggers T-cell differentiation in keratinocytes.

Chemical Properties

White or almost white, crystalline powder.

Uses

Vitamin D analogue.

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.

CALCIPOTRIOL MONOHYDRATE Preparation Products And Raw materials

Raw materials

Preparation Products

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CLEARSYNTH LABS LTD. +91-22-45045900 Hyderabad, India 6351 58 Inquiry
Pharma Affiliates 172-5066494 Haryana, India 6761 58 Inquiry
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)- Calcipotriol (Calcipotriene) Monohydrate (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate Calcipotriol monohydrate CRS 147657-22-5 C27H40O3H2O API API intermediates