Products for Research Use Only
RegisterLogin

Cis-tosylate Ketoconazole

CAT: 1596-AR-K01641-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-K01641-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2095256-87-2
Synonyms
((2R,4S) -2- ((1H-imidazol-1-yl) methyl) -2- (2,4-dichlorophenyl) -1,3-dioxolan-4-yl) methyl 4-methylbenzenesulfonate
Molecular Formula
C21H20Cl2N2O5S
Molecular Weight
483.36
API Name
Ketoconazole

Chemical Information

((2R,4S)-2-((1H-Imidazol-1-YL)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-YL)methyl 4-methylbenzenesulfonate (ketoconazole impurity)
CAS Number2095256-87-2
PubChem CID29978142
IUPAC Name[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Molecular FormulaC21H20Cl2N2O5S
Molecular Weight483.4
XLogP4.6
Topological Polar Surface Area88
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity700
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-/m0/s1
InChIKey
WAXNIYHZFWRPGS-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of ((2R,4S)-2-((1H-Imidazol-1-YL)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-YL)methyl 4-methylbenzenesulfonate (ketoconazole impurity)
CAS: 2095256-87-2
CID: 29978142
Formula: C21H20Cl2N2O5S
MW: 483.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass482.0469983
Monoisotopic Mass482.0469983
Topological Polar Surface Area88 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-K01632-01(-) -Ketoconazole
AR-K01028-01Ketoconazole
AR-K01631-01Ketoconazole Sulfate
AR-K01020-01Ketoconazole-d3
AR-K01558-01Ketoconazole Bisulfite
AR-K01040-01Ketoconazole Impurity 11
AR-K01553-01Ketoconazole N-Oxide
AR-K01033-01Ketoconazole Impurity 4
AR-K01626-01Ketoconazole Impurity 38
AR-K01645-01Ketoconazole Impurity 40

Alternative Products

CatalogName
CS-C-00408(+/-) -Ketoconazole-d4 (piperazine-3,3,5,5-d4) (cis-isomers)
MBS6024363-01Ketoconazole (cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine)
MBS6064481-01Ketoconazole-d8 (cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-d8)
K0295-51Ketoconazole-d8 (cis-1-Acetyl-4-[4-[[2- (2,4-dichlorophenyl) -2- (1H-imidazol-1-ylmethyl) -1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-d8)
B1240-10(+)-Ketoconazole
A4316-100Ketoconazole
HY-B0105A-01(+) -Ketoconazole
GTR19204494(-) -Ketoconazole
MBS5754212(-)-Ketoconazole

Popular Products