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Substance Name: 4H-1-Benzopyran-4-one, 8-methyl-6-nitro-2-(1H-tetrazol-5-yl)-
RN: 38243-76-4
InChIKey: MOCDFTDGVGUZIT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H7-N5-O4

Molecular Weight

  • 273.2073
 
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Names and Synonyms

Synonyms

  • 8-Methyl-6-nitro-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one
  • BRN 1025892

Systematic Name

  • 4H-1-Benzopyran-4-one, 8-methyl-6-nitro-2-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 38243-76-4

System Generated Number

  • 0038243764

Structure Descriptors

InChI

1S/C11H7N5O4/c1-5-2-6(16(18)19)3-7-8(17)4-9(20-10(5)7)11-12-14-15-13-11/h2-4H,1H3,(H,12,13,14,15)

InChIKey

MOCDFTDGVGUZIT-UHFFFAOYSA-N

Smiles

Cc1cc(cc2c1oc(cc2=O)c3[nH]nnn3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.