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Cis-Mesylate

Cis-Mesylate

CAS Number: 67914-86-7

Molecular Formula: C14H15Cl2N3O5S

Purity: --

IrritantIrritant

Variants

Itraconazole (IT9) Cis-(2,4-(dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl-methyl)1,3-dioxolan-4-yl]methyl methanesulphonate

CAS: 67914-86-7

Synonyms

  • AC1LYHNC
  • Itraconazole Impurity 14
  • Itraconazole Sulfonate Impurity
  • CTK8F8679
  • ZINC2274715
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Cis-Mesylate Specifications

CAS Number
67914-86-7
Molecular Formula
C14H15Cl2N3O5S
Molecular Weight
408.3 g/mol
IUPAC Name
[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Canonical SMILES
CS(=O)(=O)OC[C@H]1CO[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI Key
QIMASXGTWQEFGS-RISCZKNCSA-N
InChI
InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/m1/s1
PubChem CID
1900032
EINECS Number
267-749-5
MDL Number
MFCD06410887
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