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Substance Name: Benzoic acid, 4-(((4-chlorophenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester, mono(2-(4-chlorophenoxy)-2-methylpropanoate)
RN: 54393-06-5
InChIKey: ACHHSSUSDXOVAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-O4.C10-H11-Cl-O3

Molecular Weight

  • 619.538
 
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Names and Synonyms

  • Benzoic acid, 4-(((4-chlorophenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester, mono(2-(4-chlorophenoxy)-2-methylpropanoate)

Registry Numbers

CAS Registry Number

  • 54393-06-5

System Generated Number

  • 0054393065

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O4.C10-H11-Cl-O3

Molecular Formula Fragments

  • C10-H11-Cl-O3
  • C21-H25-Cl-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN2O4.C10H11ClO3/c1-3-24(4-2)13-14-27-21(26)16-5-9-18(10-6-16)23-20(25)15-28-19-11-7-17(22)8-12-19;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h5-12H,3-4,13-15H2,1-2H3,(H,23,25);3-6H,1-2H3,(H,12,13)

InChIKey

ACHHSSUSDXOVAI-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)NC(COc1ccc(Cl)cc1)=O)C(OCC[NH+](CC)CC)=O.c1(OC(C(=O)[O-])(C)C)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2510mg/kg (2510mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.