
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 147657-22-5 |
| Catalog No. | 2A-9094009 |
| Chinese Name | 钙泊三醇一水合物 |
| Synonyms | Calcipotriol (monohydrate); Calcipotriol monohydrate |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.62 |
| Purity | 98.00 |
| Water Solubility | Practically insoluble in water, freely soluble in |
| Storage Condition | 2-8℃ |
| Application | Calcipotriol is a 1,25-Dihydroxyvitamin D3 analogue that can act on psoriasis. |
| PubChem ID | 121111361 |
| SMILES | O[C@H]1C[C@@H](C(=C)\C(=C/C=C2/[C@H]3[C@@]([C@H](CC3)[C@H](C)\C=C\[C@@H](O)C4CC4)(CCC/2)C)\C1)O.O |
| 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 | XBKHACNRWFKJNC-MANNPBRJSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/94009_1_147657_22_5.pdf |
| Transport Info | Product name: Calcipotriol monohydrate |
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