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Substance Name: Diphenoxyacetic acid
RN: 729-89-5
UNII: QV1X7J421G
InChIKey: BWRPEDIXOHZKFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-O4

Molecular Weight

  • 244.245
 
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Names and Synonyms

Name of Substance

  • Diphenoxyacetic acid

Synonyms

  • 4-06-00-00659 (Beilstein Handbook Reference)
  • BRN 1976205
  • Diphenoxyacetic acid
  • EINECS 211-981-1
  • NSC 406
  • NSC 522021
  • UNII-QV1X7J421G

Systematic Names

  • Acetic acid, diphenoxy-
  • Diphenoxyacetic acid
  • Glyoxylic acid, 2-(diphenyl acetal) (8CI)

Registry Numbers

CAS Registry Number

  • 729-89-5

FDA UNII

  • QV1X7J421G

System Generated Number

  • 0000729895

Structure Descriptors

InChI

1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)

InChIKey

BWRPEDIXOHZKFD-UHFFFAOYSA-N

Smiles

C(Oc1ccccc1)(Oc1ccccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1017mg/kg (1017mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 211, 1970.