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Substance Name: 1H-Imidazole-2-methanol, alpha-(3-hydroxy-6-methoxy-2-(1,1-dimethylethyl)phenyl)-1-methyl-5-nitro-
RN: 83940-41-4
InChIKey: ACPNSCZYTIZEKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O5

Molecular Weight

  • 335.3579
 
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Names and Synonyms

Synonym

  • 5-Nitro-1-methyl-imidazolyl-6-tert-butyl-5-hydroxy-2-methoxy-phenyl-carbinol

Systematic Name

  • 1H-Imidazole-2-methanol, alpha-(3-hydroxy-6-methoxy-2-(1,1-dimethylethyl)phenyl)-1-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 83940-41-4

System Generated Number

  • 0083940414

Structure Descriptors

InChI

1S/C16H21N3O5/c1-16(2,3)13-9(20)6-7-10(24-5)12(13)14(21)15-17-8-11(18(15)4)19(22)23/h6-8,14,20-21H,1-5H3

InChIKey

ACPNSCZYTIZEKI-UHFFFAOYSA-N

Smiles

CC(C)(C)c1c(ccc(c1C(c2ncc(n2C)[N+](=O)[O-])O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6100mg/kg (6100mg/kg)   European Patent Application. Vol. #0063401,
rat LD50 oral 6800mg/kg (6800mg/kg)   European Patent Application. Vol. #0063401,