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Substance Name: Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester
RN: 63916-64-3
InChIKey: XTBYBRINUMAOSK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-Br-N-O2

Molecular Weight

  • 340.259
 
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Names and Synonyms

Synonym

  • 3-(2'-Methylpiperidino)propyl p-bromobenzoate

Systematic Name

  • Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester

Registry Numbers

CAS Registry Number

  • 63916-64-3

System Generated Number

  • 0063916643

Structure Descriptors

InChI

1S/C16H22BrNO2/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3

InChIKey

XTBYBRINUMAOSK-UHFFFAOYSA-N

Smiles

c1(C(OCCC[N@@]2[C@@H](CCCC2)C)=O)ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.