CAS 147657-22-5: Calcipotriol monohydrate
Description:Calcipotriol monohydrate, with the CAS number 147657-22-5, is a synthetic derivative of vitamin D3, primarily used in dermatology for the treatment of psoriasis. It exhibits characteristics typical of a crystalline solid, often appearing as a white to off-white powder. The substance is known for its ability to modulate skin cell proliferation and differentiation, making it effective in reducing the scaling and inflammation associated with psoriasis. Calcipotriol functions as a potent agonist of the vitamin D receptor, influencing various cellular processes. It is soluble in organic solvents but has limited solubility in water, which is a consideration for formulation in topical applications. The monohydrate form indicates the presence of one molecule of water associated with each molecule of calcipotriol, which can affect its stability and solubility. Overall, calcipotriol monohydrate is a crucial therapeutic agent in managing skin conditions, with a well-established safety profile when used as directed.
Formula:C27H40O3·H2O
InChI:InChI=1S/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
InChI key:InChIKey=XBKHACNRWFKJNC-MANNPBRJSA-N
SMILES:O.OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C=CC(O)C4CC4)C)CC(O)C1
- Synonyms:
- 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)-
- 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, monohydrate, (1α,3β,5Z,7E,22E,24S)-
- Calcipotriol monohydrate
