Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzeneacetic acid, 4-(1,3-benzoxathiol-2-yl)-alpha-methyl-
RN: 52787-33-4
InChIKey: IGPHQHDMKZAZHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O3-S

Molecular Weight

  • 286.35
 
* 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

Synonym

  • 4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid

Systematic Name

  • Benzeneacetic acid, 4-(1,3-benzoxathiol-2-yl)-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 52787-33-4

System Generated Number

  • 0052787334

Structure Descriptors

InChI

1S/C16H14O3S/c1-10(15(17)18)11-6-8-12(9-7-11)16-19-13-4-2-3-5-14(13)20-16/h2-10,16H,1H3,(H,17,18)

InChIKey

IGPHQHDMKZAZHP-UHFFFAOYSA-N

Smiles

c1([C@@H]2Oc3ccccc3S2)ccc([C@@H](C(O)=O)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 487, 1973.