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Substance Name: 1H-Imidazole-5-carboxylic acid, 2-methyl-1-(1-phenylethyl)-, methyl ester, mononitrate, (+-)-
RN: 36363-25-4
InChIKey: PIBIRIJEESHLFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O2.H-N-O3

Molecular Weight

  • 307.3043
 
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Names and Synonyms

Synonyms

  • (+-)-2-Methyl-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid methyl ester mononitrate
  • DL-1-(alpha-Methylbenzyl)-2-methylimidazole-5-carboxylic acid methyl ester nitrate

Systematic Name

  • 1H-Imidazole-5-carboxylic acid, 2-methyl-1-(1-phenylethyl)-, methyl ester, mononitrate, (+-)-

Registry Numbers

CAS Registry Number

  • 36363-25-4

System Generated Number

  • 0036363254

Molecular Formulas

Molecular Formula

  • C14-H16-N2-O2.H-N-O3

Molecular Formula Fragments

  • C14-H16-N2-O2
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C14H16N2O2.HNO3/c1-10(12-7-5-4-6-8-12)16-11(2)15-9-13(16)14(17)18-3;2-1(3)4/h4-10H,1-3H3;(H,2,3,4)

InChIKey

PIBIRIJEESHLFV-UHFFFAOYSA-N

Smiles

Cc1ncc(n1C(C)c2ccccc2)C(=O)OC.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 563mg/kg (563mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 336, 1972.