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Substance Name: Benzoic acid, 4-(2-(octyloxy)benzamido)-, 2-(diethylamino)ethyl ester hydrochloride
RN: 51444-52-1
InChIKey: DOABTEMOZNFDOP-UHFFFAOYSA-N

Molecular Formula

  • C28-H40-N2-O4.Cl-H

Molecular Weight

  • 505.095
 
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Names and Synonyms

Synonym

  • 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate hydrochloride

Systematic Name

  • Benzoic acid, 4-(2-(octyloxy)benzamido)-, 2-(diethylamino)ethyl ester hydrochloride

Registry Numbers

CAS Registry Number

  • 51444-52-1

System Generated Number

  • 0051444521

Molecular Formulas

Molecular Formula

  • C28-H40-N2-O4.Cl-H

Molecular Formula Fragments

  • C28-H40-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H40N2O4.ClH/c1-4-7-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(5-2)6-3;/h11-12,14-19H,4-10,13,20-22H2,1-3H3,(H,29,31);1H

InChIKey

DOABTEMOZNFDOP-UHFFFAOYSA-N

Smiles

c1(c(C(Nc2ccc(C(OCC[NH+](CC)CC)=O)cc2)=O)cccc1)OCCCCCCCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 501mg/kg (501mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.