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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-
RN: 86617-00-7
InChIKey: ZDFHGRYRGQMCFG-IRXDYDNUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-Cl-F3-O4

Molecular Weight

  • 386.7516
 
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Names and Synonyms

Synonyms

  • BRN 5144728
  • RU 26696

Systematic Name

  • 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 86617-00-7

System Generated Number

  • 0086617007

Structure Descriptors

InChI

1S/C18H14ClF3O4/c1-17(10-4-3-5-11(8-10)18(20,21)22)13-9-12(19)6-7-14(13)25-16(26-17)15(23)24-2/h3-9,16H,1-2H3/t16-,17-/m0/s1

InChIKey

ZDFHGRYRGQMCFG-IRXDYDNUSA-N

Smiles

C[C@@]1(c2cc(ccc2O[C@@H](O1)C(=O)OC)Cl)c3cccc(c3)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.