Butoconazole

CAT: 0013-GTR19157917-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19157917-01Size:100 mg

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Description

Butoconazole is an imidazole antifungal agentButoconazole is particularly effective against in vivo Candida albicans infections (mice), maintaining good activity down to 0.25% formulation strength and showing unusually low reinfection rates after treatment is ended.Butoconazole 1-BSR is an effective and safe alternative to longer-term therapy with miconazole nitrate (seven days) for vulvovaginal candidiasis.

CAS Number

64872-76-0

Product Name Alternative

1-[4- (4-chlorophenyl) -2-[ (2,6-dichlorophenyl) thio]butyl]-1H-imidazole

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Solubility

DMSO:77 mg/ml (187 mM)

Smiles

Clc1ccc (CCC (Cn2ccnc2) Sc2c (Cl) cccc2Cl) cc1

Molecular Formula

C19H17Cl3N2S

Molecular Weight

411.76

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

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 Number	64872-76-0
PubChem CID	47472
IUPAC Name	1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
Molecular Formula	C19H17Cl3N2S
Molecular Weight	411.8
XLogP	6.4
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	383

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

CAS: 64872-76-0

CID: 47472

Formula: C19H17Cl3N2S

MW: 411.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	411.8
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	410.017803
Monoisotopic Mass	410.017803
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	383
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3611895-01	Butoconazole
B1902-5.1	Butoconazole nitrate
HY-B0293-01	Butoconazole (nitrate)
A17605-500	Butoconazole 500mg

Butoconazole

Chemical Information

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