Ketoconazole EP Impurity E

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CAS Number

134071-44-6

Synonyms

Cis- ((2R,4R) -2- ((1H-imidazol-1-yl) methyl) -2- (2,4-dichlorophenyl) -1,3-dioxolan-4-yl) methyl4-methylbenzenesulfonate; cis-[2- (2,4-Dichlorophenyl) -2- (1H-imidazol-1-ylmethyl) -1,3-dioxolan-4-yl]methyl p-Tolylsulfonate; (2R,4R) -rel-2- (2,4-Dichlorophenyl) -2- (1H-imidazol-1-ylmethyl) -1,3-dioxolane-4-methanol 4- (4-Methylbenzenesulfonate) ; Ketoconazole EP Impurity E

Molecular Formula

C21H20Cl2N2O5S

Molecular Weight

483.36

API Name

Ketoconazole

Chemical Information

2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

CAS Number	134071-44-6
PubChem CID	10814675
IUPAC Name	[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Molecular Formula	C21H20Cl2N2O5S
Molecular Weight	483.4
XLogP	4.6
Topological Polar Surface Area	88
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	700

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1

InChIKey

WAXNIYHZFWRPGS-UTKZUKDTSA-N

Chemical Structure

2D Structure

CAS: 134071-44-6

CID: 10814675

Formula: C21H20Cl2N2O5S

MW: 483.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	483.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	482.0469983
Monoisotopic Mass	482.0469983
Topological Polar Surface Area	88 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-K01022-01	Ketoconazole EP Impurity A
AR-K01024-01	Ketoconazole EP Impurity C
AR-K01025-01	Ketoconazole EP Impurity D
AR-K01550-01	Ketoconazole EP Impurity B
AR-K01023-01	Ketoconazole EP Impurity B
AR-K01040-01	Ketoconazole Impurity 11
AR-K01033-01	Ketoconazole Impurity 4
AR-K01626-01	Ketoconazole Impurity 38
AR-K01645-01	Ketoconazole Impurity 40
AR-K01618-01	Ketoconazole Impurity 29

Alternative Products

Catalog	Name
IK162616-01	Ketoconazole Impurity A
TRC-K281340-100MG	Ketoconazole Impurity 12
RM-K200345-01	Ketoconazole Impurity 45
RM-K200342-01	Ketoconazole Impurity 42
RM-K200327-01	Ketoconazole Impurity 27
RM-K200353-01	Ketoconazole Impurity 53
RM-K200349-01	Ketoconazole Impurity 49
RM-K200347-01	Ketoconazole Impurity 47
RM-K200311-01	Ketoconazole Impurity 11
RM-K200316-01	Ketoconazole Impurity 16

Ketoconazole EP Impurity E

Chemical Information

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