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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, methyl ester, (Z)-
RN: 74271-51-5
InChIKey: HQPLKMWKZCOKOM-DLBZAZTESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-Cl-O4

Molecular Weight

  • 318.7545
 
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Names and Synonyms

Synonyms

  • (Chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylate-2 de methyle cis
  • (Chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylate-2 de methyle cis [French]
  • 4H-1,3-Benxodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, methyl ester, cis-
  • cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74271-51-5

System Generated Number

  • 0074271515

Structure Descriptors

InChI

1S/C17H15ClO4/c1-17(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)21-16(22-17)15(19)20-2/h3-10,16H,1-2H3/t16-,17+/m0/s1

InChIKey

HQPLKMWKZCOKOM-DLBZAZTESA-N

Smiles

C[C@]1(c2cc(ccc2O[C@@H](O1)C(=O)OC)Cl)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.