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Clotrimazole

CAT: 0063-16756865Size: 5 gDry Ice: NoHazardous: No
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CAS Number
23593-75-1

Chemical Information

Clotrimazole

Clotrimazole is a member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group. It has a role as an antiinfective agent, a xenobiotic and an environmental contaminant. It is a member of imidazoles, a member of monochlorobenzenes, an imidazole antifungal drug and a conazole antifungal drug.

CAS Number23593-75-1
PubChem CID2812
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]imidazole
Molecular FormulaC22H17ClN2
Molecular Weight344.8
XLogP5
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity396
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
InChI
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKey
VNFPBHJOKIVQEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clotrimazole
CAS: 23593-75-1
CID: 2812
Formula: C22H17ClN2
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass344.1080262
Monoisotopic Mass344.1080262
Topological Polar Surface Area17.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8401-5.1Clotrimazole

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