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Butoconazole

CAT: 0931-T8490-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8490-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64872-76-0
Target
Antifungal
Related Pathways
Microbiology/Virology
Purity
0.9965
Bioactivity
Butoconazole (1-[4- (4-chlorophenyl) -2-[ (2,6-dichlorophenyl) thio]butyl]-1H-imidazole) is an imidazole antifungal agent
Smiles
C(SC1=C(Cl)C=CC=C1Cl)(CN2C=CN=C2)CCC3=CC=C(Cl)C=C3
Molecular Formula
C19H17Cl3N2S
Molecular Weight
411.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Butoconazole

Butoconazole is a member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. It is a dichlorobenzene, a member of imidazoles, an aryl sulfide, a member of monochlorobenzenes, an imidazole antifungal drug and a conazole antifungal drug. It is a conjugate base of a butoconazole(1+).

CAS Number64872-76-0
PubChem CID47472
IUPAC Name1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
Molecular FormulaC19H17Cl3N2S
Molecular Weight411.8
XLogP6.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity383
SMILES
C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl
InChI
InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
InChIKey
SWLMUYACZKCSHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butoconazole
CAS: 64872-76-0
CID: 47472
Formula: C19H17Cl3N2S
MW: 411.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.8
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass410.017803
Monoisotopic Mass410.017803
Topological Polar Surface Area43.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity383
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
MBS3611895-01Butoconazole
B1902-5.1Butoconazole nitrate
HY-B0293-01Butoconazole (nitrate)
A17605-500Butoconazole 500mg

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