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Sertaconazole

CAT: 1410-M28376-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M28376-04Size:25 mg
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Description
Sertaconazole is a broad-spectrum antifungal.
CAS Number
99592-32-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
437.76
Molecular Formula
C20H15Cl3N2OS
Notes
Research use only, not for human use.
Receptor
Antifection|Antibacterial

Chemical Information

Sertaconazole

1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole is a member of the class of imidazoles that carries a 2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. It is a dichlorobenzene, a member of imidazoles, an ether and a member of 1-benzothiophenes.

CAS Number99592-32-2
PubChem CID65863
IUPAC Name1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Molecular FormulaC20H15Cl3N2OS
Molecular Weight437.8
XLogP6.3
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity488
SMILES
C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
InChIKey
JLGKQTAYUIMGRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sertaconazole
CAS: 99592-32-2
CID: 65863
Formula: C20H15Cl3N2OS
MW: 437.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.8
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass435.997067
Monoisotopic Mass435.997067
Topological Polar Surface Area55.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19169270-01Sertaconazole
B1831-5.1Sertaconazole nitrate
HY-B0736A-01Sertaconazole (nitrate)
IYA05751-01(S) -Sertaconazole
sc-460275Sertaconazole-d6

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