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Merck
CN

SML1663

Butoconazole nitrate

≥90% (HPLC)

Synonym(s):

1-[4-(4-Chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole,nitric acid, Exelgyn, Femstat One, Gynazole-1, Gynomyk, (±)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole mononitrate

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About This Item

Empirical Formula (Hill Notation):
C19H17Cl3N2S · HNO3
CAS Number:
64872-77-1
Molecular Weight:
474.79
NACRES:
NA.77
PubChem Substance ID:
329826001
UNSPSC Code:
12352200
MDL number:
MFCD00058159
Assay:
≥90% (HPLC)
Form:
powder
Quality level:
200

Key Documents

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Quality Level

200

assay

≥90% (HPLC)

form

powder

solubility

DMSO or DMF: soluble, methanol: soluble

storage temp.

2-8°C

SMILES string

ClC1=C(C(Cl)=CC=C1)SC(CCC2=CC=C(Cl)C=C2)CN3C=CN=C3.O[N+]([O-])=O

InChI

1S/C19H17Cl3N2S.HNO3/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;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)

InChI key

ZHPWRQIPPNZNML-UHFFFAOYSA-N

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Biochem/physiol Actions

Butoconazole is an imidazole derivative with in vitro antifungal activity against Candida spp. In addition, Butoconazole is clinically effective against vaginal infections. The exact mechanism for its activity is unknown. However, Butoconazole was found to interfere with the biosynthesis of lipid and ergosterol.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
13160710
096M4077V

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Jacobson, J.B., et al.
Acta Obstetricia et Gynecologica Scandinavica, 64, 241-244 (1985)
Odds, F.C., et al.
The Journal of Antimicrobial Chemotherapy, 14, 105-114 (1984)
Walker, K.A.M., et al.
Journal of Medicinal Chemistry, 21, 840-843 (1978)
Droegemuller, W., et al.
Obstetrics and Gynecology, 64, 530-534 (1984)
Tatum, D.M., et al.
Infection Control and Hospital Epidemiology : The Official Journal of the Society of Hospital Epidemiologists of America, 9, 122-124 (1988)

Global Trade Item Number

SKUGTIN
SML1663-100MG04061832638782

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