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Substance Name: Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride
RN: 31991-03-4
InChIKey: JUFUNKWZCPPHFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O2.Cl-H

Molecular Weight

  • 326.865
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethylcarbanilic acid, N-tert-butyl-3-pyrrolidinyl ester hydrochloride
  • N-tert-Butyl-3-pyrrolidinyl 2,6-dimethylcarbanilate hydrochloride
  • N-tert-Butyl-3-pyrrolidyl 2,6-dimethylphenylcarbamate hydrochloride

Systematic Name

  • Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 31991-03-4

System Generated Number

  • 0031991034

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H26-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N2O2.ClH/c1-12-7-6-8-13(2)15(12)18-16(20)21-14-9-10-19(11-14)17(3,4)5;/h6-8,14H,9-11H2,1-5H3,(H,18,20);1H

InChIKey

JUFUNKWZCPPHFF-UHFFFAOYSA-N

Smiles

C1[C@@H](CC[N@@H+]1C(C)(C)C)OC(Nc1c(cccc1C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13506ug/kg (13.506mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 710, 1971.