Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, ethyl ester, (E)-
RN: 86616-85-5
InChIKey: BYSUSVMYOUNXLV-ROUUACIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl-O4

Molecular Weight

  • 332.7813
 
* 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

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, ethyl ester, trans-
  • BRN 5110257
  • trans-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid ethyl ester

Systematic Name

  • 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 86616-85-5

System Generated Number

  • 0086616855

Structure Descriptors

InChI

1S/C18H17ClO4/c1-3-21-16(20)17-22-15-10-9-13(19)11-14(15)18(2,23-17)12-7-5-4-6-8-12/h4-11,17H,3H2,1-2H3/t17-,18-/m0/s1

InChIKey

BYSUSVMYOUNXLV-ROUUACIJSA-N

Smiles

CCOC(=O)[C@H]1Oc2ccc(cc2[C@](O1)(C)c3ccccc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.