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Substance Name: 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride
RN: 13492-21-2
UNII: Y50DZH35VZ
InChIKey: GZSMZOZGZVJTLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O3.Cl-H

Molecular Weight

  • 312.795
 
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Names and Synonyms

Name of Substance

  • 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone monohydrochloride

Synonyms

  • 3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride
  • EINECS 236-808-7
  • NSC 150074
  • Phenitron
  • Phenitrone
  • Phenytron
  • TG-6
  • UNII-Y50DZH35VZ

Systematic Names

  • 1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-, monohydrochloride (9CI)
  • 3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride
  • Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-3'-nitro-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 13492-21-2

FDA UNII

  • Y50DZH35VZ

Related Registry Number

  • 3670-65-3 (Parent)

System Generated Number

  • 0013492212

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O3.Cl-H

Molecular Formula Fragments

  • C15-H20-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20N2O3.ClH/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;/h5-7,12H,1-4,8-11H2;1H

InChIKey

GZSMZOZGZVJTLF-UHFFFAOYSA-N

Smiles

C(CCN1CCCCCC1)(=O)c1cc(ccc1)[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   European Journal of Pharmacology. Vol. 19, Pg. 310, 1972.