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Substance Name: Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (1:1)
RN: 58357-69-0
InChIKey: CNGIRDKPQKTQPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-Cl-O7-S.C4-H10-N2

Molecular Weight

  • 472.9435
 
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Names and Synonyms

  • Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (1:1)

Registry Numbers

CAS Registry Number

  • 58357-69-0

System Generated Number

  • 0058357690

Molecular Formulas

Molecular Formula

  • C16-H15-Cl-O7-S.C4-H10-N2

Molecular Formula Fragments

  • C16-H15-Cl-O7-S
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H15ClO7S.C4H10N2/c1-16(2,24-11-5-3-10(17)4-6-11)15(19)23-12-7-8-13(18)14(9-12)25(20,21)22;1-2-6-4-3-5-1/h3-9,18H,1-2H3,(H,20,21,22);5-6H,1-4H2

InChIKey

CNGIRDKPQKTQPU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4300mg/kg (4300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.