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

CAS Number: 67914-86-7

Molecular Formula: C14H15Cl2N3O5S

Purity: 99.53%

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

Cis-(2,4-(dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl methanesulfonate is an intermediate compound utilized in the synthesis of Itraconazole, a widely used antifungal medication. This compound serves as a pharmaceutical impurity standard for analytical purposes.

Synonyms

AC1LYHNC
Itraconazole Impurity 14
Itraconazole Sulfonate Impurity
CTK8F8679
ZINC2274715

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

CAS Number

67914-86-7

Molecular Formula

C14H15Cl2N3O5S

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]1COC@@(O1)C1=C(Cl)C=C(Cl)C=C1

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

UNII Code

T2I5SBS81M

EINECS Number

267-749-5

MDL Number

MFCD06410887

UNSPSC Code

12181500

eClass

32039000

HSN No

2933.99.90

CAS Number

67914-86-7

Molecular Formula

C14H15Cl2N3O5S

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]1COC@@(O1)C1=C(Cl)C=C(Cl)C=C1

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

UNII Code

T2I5SBS81M

EINECS Number

267-749-5

MDL Number

MFCD06410887

UNSPSC Code

12181500

eClass

32039000

HSN No

2933.99.90

Appearance

Off White Powder

Solubility

Soluble in methylene chloride and dimethyl formamide

Identification (by HPLC)

Correspond to working standard Complied

Water content (by KF)

0.25

Chromatographic purity by HPLC

99.53%

Assay by HPLC

99.5

Melting Range

98-99

Hazard Statements

H301: Toxic if swallowed. H315: Causes skin irritation. H319: Causes serious eye irritation.

Precautionary Statements

P264: Wash hands thoroughly after handling P270: Do not eat, drink, or smoke when using this product P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor

Pharmaceutical Manufacturing

Serves as a reference standard in the development and quality control of Itraconazole formulations, ensuring consistency and efficacy in pharmaceutical products.