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Substance Name: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
RN: 28060-47-1
InChIKey: SJSHNPYTVBOXJN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H37-N3-O4.2Cl-H

Molecular Weight

  • 552.539
 
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Names and Synonyms

  • 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 28060-47-1

System Generated Number

  • 0028060471

Molecular Formulas

Molecular Formula

  • C28-H37-N3-O4.2Cl-H

Molecular Formula Fragments

  • C28-H37-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H37N3O4.2ClH/c1-22-19-28(24-11-7-6-8-12-24,35-26(32)23-13-15-25(16-14-23)31(33)34)27(2,20-29(22)3)21-30-17-9-4-5-10-18-30;;/h6-8,11-16,22H,4-5,9-10,17-21H2,1-3H3;2*1H

InChIKey

SJSHNPYTVBOXJN-UHFFFAOYSA-N

Smiles

C(=O)(O[C@@]1(C[C@@H]([N@@](C[C@@]1(C)CN1CCCCCC1)C)C)c1ccccc1)c1ccc(cc1)[N+](=O)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 309mg/kg (309mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 108, 1974.