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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 4,6-dimethyl-4-phenyl-, methyl ester, (E)-
RN: 86617-10-9
InChIKey: YOLKKQPSMGBCHB-ROUUACIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-O4

Molecular Weight

  • 298.3362
 
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Names and Synonyms

Synonyms

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 4,6-dimethyl-4-phenyl-, methyl ester, trans-
  • BRN 5093727
  • trans-4,6-Dimethyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86617-10-9

System Generated Number

  • 0086617109

Structure Descriptors

InChI

1S/C18H18O4/c1-12-9-10-15-14(11-12)18(2,13-7-5-4-6-8-13)22-17(21-15)16(19)20-3/h4-11,17H,1-3H3/t17-,18-/m0/s1

InChIKey

YOLKKQPSMGBCHB-ROUUACIJSA-N

Smiles

Cc1ccc2c(c1)[C@](O[C@H](O2)C(=O)OC)(C)c3ccccc3

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.