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Substance Name: Benzoic acid, p-isobutoxy-, 3-(2'-methylpiperidino)propyl ester
RN: 63916-90-5
InChIKey: LDHRPGPXSCBURF-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-isobutoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63916-90-5

System Generated Number

  • 0063916905

Structure Descriptors

InChI

1S/C20H31NO3/c1-16(2)15-24-19-10-8-18(9-11-19)20(22)23-14-6-13-21-12-5-4-7-17(21)3/h8-11,16-17H,4-7,12-15H2,1-3H3

InChIKey

LDHRPGPXSCBURF-UHFFFAOYSA-N

Smiles

c1(ccc(OCC(C)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 32mg/kg (32mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.
mouse LD50 subcutaneous 161mg/kg (161mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.