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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester
RN: 71980-70-6
InChIKey: YXIZLTCMUGZNSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H17-Cl-O4

Molecular Weight

  • 380.8253
 
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Names and Synonyms

Synonyms

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester
  • 6-Chloro-4,4-diphenyl-1,3-benzodioxan-2-carboxylic acid methyl ester
  • BRN 5138980

Systematic Name

  • 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4,4-diphenyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 71980-70-6

System Generated Number

  • 0071980706

Structure Descriptors

InChI

1S/C22H17ClO4/c1-25-20(24)21-26-19-13-12-17(23)14-18(19)22(27-21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,21H,1H3

InChIKey

YXIZLTCMUGZNSB-UHFFFAOYSA-N

Smiles

COC(=O)C1Oc2ccc(cc2C(O1)(c3ccccc3)c4ccccc4)Cl

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.