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Substance Name: Butoconazole nitrate [USAN:USP]
RN: 64872-77-1
UNII: 4805237NP5
InChIKey: ZHPWRQIPPNZNML-UHFFFAOYSA-N

Classification Codes

  • Antifungal
  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Cl3-N2-S.H-N-O3

Molecular Weight

  • 474.7942
 

Names and Synonyms

Name of Substance

  • Butoconazole nitrate
  • Butoconazole nitrate [USAN:USP]

Synonyms

  • (+-)-1-(4-(4-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate
  • (+-)-1-(4-(p-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate
  • 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, mononitrate, (+-)-
  • Butoconazole nitrate
  • Exelgyn
  • Femstat
  • Femstat 3
  • Femstat One
  • Gynazole
  • Gynazole-1
  • Gynomyk
  • Mycelex-3
  • RS 35887
  • RS-35887
  • RS-35887-00-10-3
  • UNII-4805237NP5

Systematic Names

  • 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-, mononitrate
  • 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, mononitrate, (+-)-

Registry Numbers

CAS Registry Number

  • 64872-77-1

FDA UNII

  • 4805237NP5

Other Registry Number

  • 67085-14-7

System Generated Number

  • 0064872771

Molecular Formulas

Molecular Formula

  • C19-H17-Cl3-N2-S.H-N-O3

Molecular Formula Fragments

  • C19-H17-Cl3-N2-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

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)

InChIKey

ZHPWRQIPPNZNML-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)Cl)SC(CCc2ccc(cc2)Cl)Cn3ccnc3)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 840, 1978.
mouse LD50 intraperitoneal > 3600mg/kg (3600mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 840, 1978.
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 840, 1978.
rat LD50 intraperitoneal 940mg/kg (940mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 840, 1978.
rat LD50 oral 1720mg/kg (1720mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 840, 1978.