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Substance Name: Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride
RN: 66859-45-8
InChIKey: KTNQKFIJYUQYFE-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O4.Cl-H

Molecular Weight

  • 259.688
 
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Names and Synonyms

Synonym

  • 4-Amino-2-(3,4-methylenedioxyphenyl)butyric acid hydrochloride

Systematic Name

  • Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 66859-45-8

System Generated Number

  • 0066859458

Molecular Formulas

Molecular Formula

  • C11-H13-N-O4.Cl-H

Molecular Formula Fragments

  • C11-H13-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13NO4.ClH/c12-4-3-8(11(13)14)7-1-2-9-10(5-7)16-6-15-9;/h1-2,5,8H,3-4,6,12H2,(H,13,14);1H

InChIKey

KTNQKFIJYUQYFE-UHFFFAOYSA-N

Smiles

c1([C@@H](CC[NH3+])C(O)=O)cc2c(OCO2)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 539, 1963.