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Technology Process of Calcipotriol, anhydrous impurity A [EP]

Calcipotriol, anhydrous impurity A [EP]

Base Information
  • Chemical Name:Calcipotriol, anhydrous impurity A [EP]
  • CAS No.:126860-83-1
  • Molecular Formula:C27H38 O3
  • Molecular Weight:410.58882
  • Hs Code.:
  • UNII:G70BS4HF9Z
  • Wikidata:Q27278864
  • Metabolomics Workbench ID:35643
  • Mol file:126860-83-1.mol
Calcipotriol, anhydrous impurity A [EP]

Synonyms:126860-83-1;Calcipotriol, anhydrous impurity A [EP];MC-1046;MC 1046;UNII-G70BS4HF9Z;G70BS4HF9Z;Calcipotriol, anhydrous specified impurity A [EP];(5Z,7E,22E)-24-Cyclopropyl-1alpha,3beta-dihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-one;(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one;9,10-Secochola-5,7,10(19),22-tetraen-24-one, 24-cyclopropyl-1,3-dihydroxy-, (1alpha,3beta,5Z,7E,22E)-;(22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrocholecalciferol;(5Z,7E,22E)-(1S,3R)-1,3-dihydroxy-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraen-24-one;Impurity A of Calcipotriol;LMST03020092;SCHEMBL19986503;AC-35467;CALCIPOTRIOL IMPURITY A [EP IMPURITY];CALCIPOTRIENE IMPURITY A [USP IMPURITY];Q27278864;CALCIPOTRIOL MONOHYDRATE IMPURITY A [EP IMPURITY];(5Z,7E,22E)-24-CYCLOPROPYL-1.ALPHA.,3.BETA.-DIHYDROXY-9,10-SECOCHOLA-5,7,10(19),22-TETRAEN-24-ONE;9,10-SECOCHOLA-5,7,10(19),22-TETRAEN-24-ONE, 24-CYCLOPROPYL-1,3-DIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E,22E)-

Suppliers and Price of Calcipotriol, anhydrous impurity A [EP]
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • (1α,3β,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one(90%)
  • 0.25mg
  • $ 305.00
  • Medical Isotopes, Inc.
  • (1α,3β,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one(90%)
  • 0.25 mg
  • $ 750.00
  • ChemScene
  • MC1046
  • 1mg
  • $ 500.00
  • ApexBio Technology
  • MC1046
  • 1mg
  • $ 1339.00
Total 19 raw suppliers
Chemical Property of Calcipotriol, anhydrous impurity A [EP]
Chemical Property:
  • Boiling Point:584.2±50.0 °C(Predicted) 
  • PKA:14.43±0.40(Predicted) 
  • PSA：57.53000 
  • Density:1.12±0.1 g/cm3(Predicted) 
  • LogP:5.29880 
  • Solubility.:Soluble in DMSO 
  • XLogP3:4.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:5
  • Exact Mass:410.28209507
  • Heavy Atom Count:30
  • Complexity:784
Purity/Quality:

98%, *data from raw suppliers

(1α,3β,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one(90%) *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
  • Isomeric SMILES:C[C@H](/C=C/C(=O)C1CC1)[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
  • Uses MC 1046 is a vitamin D3 analogue with similar effects. Impurity of Calcipotriol (C144200), an antipsoriatic.
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