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Merck

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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InChI key

ZHPWRQIPPNZNML-UHFFFAOYSA-N

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)

assay

≥90% (HPLC)

form

powder

solubility

DMSO or DMF: soluble, methanol: soluble

storage temp.

2-8°C

Quality Level

200

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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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

SML1663-100MG: + SML1663-100MG-PW: + SML1663-VAR: + SML1663-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
096M4077V
13160710

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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)
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)
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)

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