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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-phenyl-4-vinyl-, methyl ester, (E)-
RN: 86617-05-2
InChIKey: JLOPOKSABGIKSW-ROUUACIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-O4

Molecular Weight

  • 330.7655
 
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Names and Synonyms

Synonyms

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-ethenyl-4-phenyl-, methyl ester, trans-
  • BRN 5119570
  • trans-6-Chloro-4-phenyl-4-vinyl-1,3-benzodioxan-2-carboxylic acid methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86617-05-2

System Generated Number

  • 0086617052

Structure Descriptors

InChI

1S/C18H15ClO4/c1-3-18(12-7-5-4-6-8-12)14-11-13(19)9-10-15(14)22-17(23-18)16(20)21-2/h3-11,17H,1H2,2H3/t17-,18-/m0/s1

InChIKey

JLOPOKSABGIKSW-ROUUACIJSA-N

Smiles

COC(=O)[C@H]1Oc2ccc(cc2[C@](O1)(C=C)c3ccccc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.