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Atocalcitol - 98%, high purity , CAS No.302904-82-1
Basic Description
Synonyms | Atocalcitol|302904-82-1|Atocalcitol [INN]|(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol|PR3292R3H7|Atoca |
Specifications & Purity | 98% |
Storage Temp | Protected from light,Store at -20°C,Argon charged |
Shipped In | Dry ice |
Product Description | Atocalcitol, a vitamin D3 analogue, is used in the study for psoriasis. Form:Solid |
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Names and Identifiers
IUPAC Name | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
INCHI | InChI=1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28+,29-,30-,32+/m0/s1 |
InChi Key | CFIFSLBCJAXYTC-FJLAUVHZSA-N |
Canonical SMILES | CC(COCC1=CC(=CC=C1)C(C)(C)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C |
Isomeric SMILES | C[C@@H](COCC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
Alternate CAS | 302904-82-1 |
PubChem CID | 6445225 |
Molecular Weight | 494.71 |
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Chemical and Physical Properties
Solubility | DMSO : 25 mg/mL (50.53 mM; ultrasonic and warming and heat to 60°C) |
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