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Substance Name: 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-
RN: 67292-87-9
InChIKey: DEFZELYHNHTWJO-UHFFFAOYSA-N

Molecular Formula

  • C9-H14-Cl-N3-O3

Molecular Weight

  • 247.6806
 
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Names and Synonyms

Synonym

  • 1-(3-Chloro-2-hydroxypropyl)-2-isopropyl-5-nitroimidazole

Systematic Name

  • 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-isopropyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 67292-87-9

System Generated Number

  • 0067292879

Structure Descriptors

InChI

1S/C9H14ClN3O3/c1-6(2)9(3-7(14)4-10)11-5-8(12-9)13(15)16/h5-7,14H,3-4H2,1-2H3

InChIKey

DEFZELYHNHTWJO-UHFFFAOYSA-N

Smiles

CC(C)C1(N=CC(=N1)[N+](=O)[O-])CC(CCl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 354mg/kg (354mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1019, 1974.
mouse LD50 oral 595mg/kg (595mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1019, 1974.