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Substance Name: Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester
RN: 131028-34-7
InChIKey: QSMCUEYNVUETBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2

Molecular Weight

  • 338.4484
 
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Names and Synonyms

Synonyms

  • BRN 4236842
  • Methyl 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)benzoate
  • Methyl 3-(2-(4-benzyl-1-piperazinyl)ethyl)benzoate

Systematic Name

  • Benzoic acid, 3-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 131028-34-7

System Generated Number

  • 0131028347

Structure Descriptors

InChI

1S/C21H26N2O2/c1-25-21(24)20-9-5-8-18(16-20)10-11-22-12-14-23(15-13-22)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3

InChIKey

QSMCUEYNVUETBH-UHFFFAOYSA-N

Smiles

COC(=O)c1cccc(c1)CCN2CCN(CC2)Cc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1613, 1990.