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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-
RN: 86616-93-5
InChIKey: JWKJDAVEKUGNOJ-HOTGVXAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O4

Molecular Weight

  • 270.2826
 
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Names and Synonyms

Synonyms

  • 4H,1,3-Benzodioxin-2-carboxylic acid, 4-methyl-4-phenyl-, trans-
  • Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 trans
  • Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 trans [French]
  • trans-4-Methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86616-93-5

System Generated Number

  • 0086616935

Structure Descriptors

InChI

1S/C16H14O4/c1-16(11-7-3-2-4-8-11)12-9-5-6-10-13(12)19-15(20-16)14(17)18/h2-10,15H,1H3,(H,17,18)/t15-,16-/m0/s1

InChIKey

JWKJDAVEKUGNOJ-HOTGVXAUSA-N

Smiles

C[C@@]1(c2ccccc2O[C@@H](O1)C(=O)O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.