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Substance Name: Benzoic acid, 2-hydroxy-3-methoxy-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 23958-95-4
InChIKey: PFLMCXUYRDKVFU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O4.Cl-H

Molecular Weight

  • 275.73
 
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Names and Synonyms

Synonym

  • 2-Hydroxy-3-methoxybenzoic acid hydrochloride, 2-(dimethylamino)ethyl ester

Systematic Name

  • Benzoic acid, 2-hydroxy-3-methoxy-, 2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 23958-95-4

System Generated Number

  • 0023958954

Molecular Formulas

Molecular Formula

  • C12-H17-N-O4.Cl-H

Molecular Formula Fragments

  • C12-H17-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17NO4.ClH/c1-13(2)7-8-17-12(15)9-5-4-6-10(16-3)11(9)14;/h4-6,14H,7-8H2,1-3H3;1H

InChIKey

PFLMCXUYRDKVFU-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)OC)O)C(OCC[NH+](C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 55mg/kg (55mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 870, 1969.