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Substance Name: 4-Piperidinol, 5-dibutylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
RN: 28060-46-0
InChIKey: QSQPKGMKDLPMON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H43-N2-O4.2Cl-H

Molecular Weight

  • 582.609
 
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Names and Synonyms

  • 4-Piperidinol, 5-dibutylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 28060-46-0

System Generated Number

  • 0028060460

Molecular Formulas

Molecular Formula

  • C30-H43-N2-O4.2Cl-H

Molecular Formula Fragments

  • C30-H43-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H43N3O4.2ClH/c1-6-8-19-32(20-9-7-2)23-29(4)22-31(5)24(3)21-30(29,26-13-11-10-12-14-26)37-28(34)25-15-17-27(18-16-25)33(35)36;;/h10-18,24H,6-9,19-23H2,1-5H3;2*1H

InChIKey

QSQPKGMKDLPMON-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 585mg/kg (585mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 108, 1974.