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Substance Name: Benzoic acid, p-sec-butoxy-, 3-(2'-methylpiperidino)propyl ester
RN: 63916-69-8
InChIKey: VVFLDPAQGSOAKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O3

Molecular Weight

  • 333.469
 
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Names and Synonyms

Synonym

  • 3-(2'-Methylpiperidino)propyl p-sec-butoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63916-69-8

System Generated Number

  • 0063916698

Structure Descriptors

InChI

1S/C20H31NO3/c1-4-17(3)24-19-11-9-18(10-12-19)20(22)23-15-7-14-21-13-6-5-8-16(21)2/h9-12,16-17H,4-8,13-15H2,1-3H3

InChIKey

VVFLDPAQGSOAKR-UHFFFAOYSA-N

Smiles

c1(ccc(O[C@@H](CC)C)cc1)C(OCCC[N@@]1[C@@H](CCCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.
mouse LD50 subcutaneous 270mg/kg (270mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.