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Substance Name: 1H-Imidazole, 1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-, mononitrate
RN: 61258-37-5
InChIKey: QYUBPQYOMQDGMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-Cl2-N2-O.H-N-O3

Molecular Weight

  • 388.2491
 
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Names and Synonyms

Synonym

  • 1-(4-(2,4-Dichlorophenyl)-2-(2-propenyloxy)butyl)-1H-imidazole nitrate

Systematic Name

  • 1H-Imidazole, 1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 61258-37-5

System Generated Number

  • 0061258375

Molecular Formulas

Molecular Formula

  • C16-H18-Cl2-N2-O.H-N-O3

Molecular Formula Fragments

  • C16-H18-Cl2-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C16H18Cl2N2O.HNO3/c1-2-9-21-15(11-20-8-7-19-12-20)6-4-13-3-5-14(17)10-16(13)18;2-1(3)4/h2-3,5,7-8,10,12,15H,1,4,6,9,11H2;(H,2,3,4)

InChIKey

QYUBPQYOMQDGMO-UHFFFAOYSA-N

Smiles

C=CCOC(CCc1ccc(cc1Cl)Cl)Cn2ccnc2.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.
mouse LD50 oral 500mg/kg (500mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.