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Substance Name: Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, compd. with dipropylamine (1:1)
RN: 59687-40-0
InChIKey: OZDRMXBNGNRJHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-Cl2-O9-S.C6-H15-N

Molecular Weight

  • 684.6301
 
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Names and Synonyms

  • Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, compd. with dipropylamine (1:1)

Registry Numbers

CAS Registry Number

  • 59687-40-0

System Generated Number

  • 0059687400

Molecular Formulas

Molecular Formula

  • C26-H24-Cl2-O9-S.C6-H15-N

Molecular Formula Fragments

  • C26-H24-Cl2-O9-S
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C26H24Cl2O9S.C6H15N/c1-25(2,36-18-9-5-16(27)6-10-18)23(29)34-20-13-14-21(22(15-20)38(31,32)33)35-24(30)26(3,4)37-19-11-7-17(28)8-12-19;1-3-5-7-6-4-2/h5-15H,1-4H3,(H,31,32,33);7H,3-6H2,1-2H3

InChIKey

OZDRMXBNGNRJHH-UHFFFAOYSA-N

Smiles

CCCNCCC.CC(C)(C(=O)Oc1ccc(c(c1)S(=O)(=O)O)OC(=O)C(C)(C)Oc2ccc(cc2)Cl)Oc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6200mg/kg (6200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.