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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-methoxy-4-methyl-4-phenyl-, methyl ester, (E)-
RN: 86617-11-0
InChIKey: NEKZMHIWRFGVBE-ROUUACIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-O5

Molecular Weight

  • 314.3352
 
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Names and Synonyms

Synonyms

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 6-methoxy-4-methyl-4-phenyl-, methyl ester, trans-
  • BRN 5109977
  • trans-6-Methoxy-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86617-11-0

System Generated Number

  • 0086617110

Structure Descriptors

InChI

1S/C18H18O5/c1-18(12-7-5-4-6-8-12)14-11-13(20-2)9-10-15(14)22-17(23-18)16(19)21-3/h4-11,17H,1-3H3/t17-,18-/m0/s1

InChIKey

NEKZMHIWRFGVBE-ROUUACIJSA-N

Smiles

C[C@@]1(c2cc(ccc2O[C@@H](O1)C(=O)OC)OC)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.