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Substance Name: Isoconazole nitrate [JAN]
RN: 24168-96-5
UNII: 5AS8P3N30X
InChIKey: NNGQLSIGRSTLLU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C18-H14-Cl4-N2-O.H-N-O3

Molecular Weight

  • 479.1455
 
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Names and Synonyms

Name of Substance

  • Isoconazole nitrate
  • Isoconazole nitrate [JAN]

Synonyms

  • 1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate
  • 1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate
  • 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, mononitrate
  • Adestan G100
  • EINECS 246-051-4
  • Isoconazole nitrate
  • R 15,454
  • UNII-5AS8P3N30X

Systematic Names

  • 1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate
  • Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 24168-96-5

FDA UNII

  • 5AS8P3N30X

Related Registry Number

  • 27523-40-6 (Parent)

System Generated Number

  • 0024168965

Molecular Formulas

Molecular Formula

  • C18-H14-Cl4-N2-O.H-N-O3

Molecular Formula Fragments

  • C18-H14-Cl4-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

InChIKey

NNGQLSIGRSTLLU-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981.
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981.
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1371, 1982.
rat LD50 intraperitoneal 720mg/kg (720mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE		 Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981.
rat LD50 oral 5600mg/kg (5600mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981.
rat LD50 subcutaneous > 10gm/kg (10000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1371, 1982.