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Substance Name: Butyric acid, 4-amino-2-(3,4-xylyl)-, ethyl ester, hydrochloride
RN: 66922-80-3
InChIKey: IYDLWHGJXOUPJT-UHFFFAOYSA-N

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Weight

  • 271.786
 
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Names and Synonyms

Synonym

  • Ethyl 4-amino-2-(3,4-xylyl)butyrate hydrochloride

Systematic Name

  • Butyric acid, 4-amino-2-(3,4-xylyl)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66922-80-3

System Generated Number

  • 0066922803

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.ClH/c1-4-17-14(16)13(7-8-15)12-6-5-10(2)11(3)9-12;/h5-6,9,13H,4,7-8,15H2,1-3H3;1H

InChIKey

IYDLWHGJXOUPJT-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCC)=O)CC[NH3+])cc(c(C)cc1)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 539, 1963.