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Substance Name: Alanine, N,N-diethyl-, 6-chloro-o-tolyl ester, L-, hydrochloride
RN: 2014-30-4
InChIKey: SFBFQUNOEIVWBN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C14-H20-Cl-N-O2.Cl-H

Molecular Weight

  • 306.231
 
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Names and Synonyms

Synonyms

  • FC 676
  • L-N,N-Diethylalanine 6-chloro-o-tolyl ester hydrochloride

Systematic Name

  • Alanine, N,N-diethyl-, 6-chloro-o-tolyl ester, L-, hydrochloride

Registry Numbers

CAS Registry Number

  • 2014-30-4

System Generated Number

  • 0002014304

Molecular Formulas

Molecular Formula

  • C14-H20-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H20-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20ClNO2.ClH/c1-5-16(6-2)11(4)14(17)18-13-10(3)8-7-9-12(13)15;/h7-9,11H,5-6H2,1-4H3;1H

InChIKey

SFBFQUNOEIVWBN-UHFFFAOYSA-N

Smiles

c1(c(cccc1Cl)C)OC([C@@H]([NH+](CC)CC)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2gm/kg (2000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 107, Pg. 310, 1968.