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Substance Name: Benzoic acid, 2-butoxy-3-methoxy-, 2-(isopropylamino)ethyl ester, hydrochloride
RN: 23966-71-4
InChIKey: XUWZZJXBIFVOSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O4.Cl-H

Molecular Weight

  • 345.864
 
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Names and Synonyms

Synonym

  • 2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(isopropylamino)ethyl ester

Systematic Name

  • Benzoic acid, 2-butoxy-3-methoxy-, 2-(isopropylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 23966-71-4

System Generated Number

  • 0023966714

Molecular Formulas

Molecular Formula

  • C17-H27-N-O4.Cl-H

Molecular Formula Fragments

  • C17-H27-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO4.ClH/c1-5-6-11-21-16-14(8-7-9-15(16)20-4)17(19)22-12-10-18-13(2)3;/h7-9,13,18H,5-6,10-12H2,1-4H3;1H

InChIKey

XUWZZJXBIFVOSR-UHFFFAOYSA-N

Smiles

c1(c(C(OCC[NH2+]C(C)C)=O)cccc1OC)OCCCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43mg/kg (43mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 870, 1969.