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Substance Name: Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate
RN: 3095-39-4
InChIKey: JTEBOYIKYDHFPH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O3.Cl-H-O4

Molecular Weight

  • 446.925
 
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Names and Synonyms

Synonym

  • 3,5-Dimethyl-4-(2-piperidinopropionamido)benzoic acid propyl ester perchlorate

Systematic Name

  • Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate

Registry Numbers

CAS Registry Number

  • 3095-39-4

System Generated Number

  • 0003095394

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O3.Cl-H-O4

Molecular Formula Fragments

  • C20-H30-N2-O3
  • Cl-H-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30N2O3.ClHO4/c1-5-11-25-20(24)17-12-14(2)18(15(3)13-17)21-19(23)16(4)22-9-7-6-8-10-22;2-1(3,4)5/h12-13,16H,5-11H2,1-4H3,(H,21,23);(H,2,3,4,5)

InChIKey

JTEBOYIKYDHFPH-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCC)=O)cc1C)C)NC([C@@H]([NH+]1CCCCC1)C)=O.Cl(=O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 900mg/kg (900mg/kg)   Acta Pharmaceutica Suecica. Vol. 2, Pg. 79, 1965.