Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
RN: 57899-02-2
InChIKey: ZXIRWWZPOMQYML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-Cl-O3

Molecular Weight

  • 254.712
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (7-Chloro-2,2-dimethyl-2,3-dihydrobenzofuran)-alpha-methyl-5-acetic acid
  • 5-18-06-00407 (Beilstein Handbook Reference)
  • BRN 1381029

Systematic Name

  • 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-

Registry Numbers

CAS Registry Number

  • 57899-02-2

System Generated Number

  • 0057899022

Structure Descriptors

InChI

1S/C13H15ClO3/c1-7(12(15)16)8-4-9-6-13(2,3)17-11(9)10(14)5-8/h4-5,7H,6H2,1-3H3,(H,15,16)

InChIKey

ZXIRWWZPOMQYML-UHFFFAOYSA-N

Smiles

c12c(c(cc(c1)[C@@H](C(O)=O)C)Cl)OC(C2)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 720mg/kg (720mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 303, 1976.