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Substance Name: beta-Alanine, N-benzoyl-, compd. with piperazine (2:1)
RN: 58248-02-5
InChIKey: FUAIYZQUQFFHRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O6.C4-H10-N2

Molecular Weight

  • 472.5388
 
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Names and Synonyms

Synonym

  • N-Benzoyl-beta-alanine compd. with piperazine (2:1)

Systematic Name

  • beta-Alanine, N-benzoyl-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 58248-02-5

System Generated Number

  • 0058248025

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O6.C4-H10-N2

Molecular Formula Fragments

  • C20-H22-N2-O6
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H11NO3.C4H10N2/c2*12-9(13)6-7-11-10(14)8-4-2-1-3-5-8;1-2-6-4-3-5-1/h2*1-5H,6-7H2,(H,11,14)(H,12,13);5-6H,1-4H2

InChIKey

FUAIYZQUQFFHRP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)NCCC(=O)O.c1ccc(cc1)C(=O)NCCC(=O)O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Pharmacy. Vol. 37, Pg. 118, 1975.