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Substance Name: Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate
RN: 158553-38-9
InChIKey: RCJZNRNDFJKGSV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N6-O2.H2-O

Molecular Weight

  • 302.3362
 
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Names and Synonyms

Synonyms

  • 1-(2-(5-(4-Nitrophenyl)-2H-tetrazol-2-yl)ethyl)piperidine hydrate
  • 2-(2-Piperidinoethyl)-5-(4-nitrophenyl)tetrazole hydrate

Systematic Name

  • Piperidine, 1-(2-(5-(4-nitrophenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 158553-38-9

System Generated Number

  • 0158553389

Molecular Formulas

Molecular Formula

  • C14-H18-N6-O2.H2-O

Molecular Formula Fragments

  • C14-H18-N6-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18N6O2/c21-20(22)13-6-4-12(5-7-13)14-15-17-19(16-14)11-10-18-8-2-1-3-9-18/h4-7H,1-3,8-11H2

InChIKey

RCJZNRNDFJKGSV-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2nnn(n2)CCN3CCCCC3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 204, 1993.