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Substance Name: Cyclohepta(b)pyrrol-2(1H)-one, 1-(4-(fluorophenyl)methyl)-7-(1-methylethyl)-3-(1H-tetrazol-5-yl)-
RN: 131114-33-5
InChIKey: PXCUGOWJKDRJLX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-F-N5-O

Molecular Weight

  • 363.3942
 
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Names and Synonyms

Synonym

  • 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one

Systematic Name

  • Cyclohepta(b)pyrrol-2(1H)-one, 1-(4-(fluorophenyl)methyl)-7-(1-methylethyl)-3-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 131114-33-5

System Generated Number

  • 0131114335

Structure Descriptors

InChI

1S/C20H18FN5O/c1-12(2)14-4-3-5-16-17(10-14)26(11-13-6-8-15(21)9-7-13)20(27)18(16)19-22-24-25-23-19/h3-10,12H,11H2,1-2H3,(H,22,23,24,25)

InChIKey

PXCUGOWJKDRJLX-UHFFFAOYSA-N

Smiles

CC(C)c1cccc-2c(c(=O)n(c2c1)Cc3ccc(cc3)F)c4[nH]nnn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 42, Pg. 2491, 1994.