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Substance Name: 4-Piperidinol, 5-dipropylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
RN: 28143-77-3
InChIKey: GARSAYXSMNHWCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N3-O4.2Cl-H

Molecular Weight

  • 554.555
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28143-77-3

System Generated Number

  • 0028143773

Molecular Formulas

Molecular Formula

  • C28-H29-N3-O4.2Cl-H

Molecular Formula Fragments

  • C28-H29-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H39N3O4.2ClH/c1-6-17-30(18-7-2)21-27(4)20-29(5)22(3)19-28(27,24-11-9-8-10-12-24)35-26(32)23-13-15-25(16-14-23)31(33)34;;/h8-16,22H,6-7,17-21H2,1-5H3;2*1H

InChIKey

GARSAYXSMNHWCY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 716mg/kg (716mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 108, 1974.