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Substance Name: Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, compd. with piperazine (1:1)
RN: 58357-73-6
InChIKey: XFVVUCMEYODHSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-Cl2-O9-S.C4-H10-N2

Molecular Weight

  • 669.5756
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 58357-73-6

System Generated Number

  • 0058357736

Molecular Formulas

Molecular Formula

  • C26-H24-Cl2-O9-S.C4-H10-N2

Molecular Formula Fragments

  • C26-H24-Cl2-O9-S
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H24Cl2O9S.C4H10N2/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;1-2-6-4-3-5-1/h5-15H,1-4H3,(H,31,32,33);5-6H,1-4H2

InChIKey

XFVVUCMEYODHSM-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)Oc1ccc(c(c1)S(=O)(=O)O)OC(=O)C(C)(C)Oc2ccc(cc2)Cl)Oc3ccc(cc3)Cl.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 11gm/kg (11000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.