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Substance Name: 3-Hexanone, 4,4-diphenyl-6-piperidino-, nitrate
RN: 67227-16-1
InChIKey: ZLIHZFGYUSONTH-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O.H-N-O3

Molecular Weight

  • 398.5
 
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Names and Synonyms

Synonym

  • 4,4-Diphenyl-6-piperidino-3-hexanone nitrate

Systematic Name

  • 3-Hexanone, 4,4-diphenyl-6-piperidino-, nitrate

Registry Numbers

CAS Registry Number

  • 67227-16-1

System Generated Number

  • 0067227161

Molecular Formulas

Molecular Formula

  • C23-H29-N-O.H-N-O3

Molecular Formula Fragments

  • C23-H29-N-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C23H29NO.NO3/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24;2-1(3)4/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;/q;-1/p+1

InChIKey

ZLIHZFGYUSONTH-UHFFFAOYSA-O

Smiles

C(c1ccccc1)(c1ccccc1)(CC[NH+]1CCCCC1)C(CC)=O.[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg)   Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949.