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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-
RN: 74271-48-0
InChIKey: UMBAPIWARGTVLV-JKSUJKDBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Cl-O4

Molecular Weight

  • 304.7277
 
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Names and Synonyms

Synonyms

  • 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, cis-
  • Acide (chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylique-2 cis
  • Acide (chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylique-2 cis [French]
  • cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74271-48-0

System Generated Number

  • 0074271480

Structure Descriptors

InChI

1S/C16H13ClO4/c1-16(10-5-3-2-4-6-10)12-9-11(17)7-8-13(12)20-15(21-16)14(18)19/h2-9,15H,1H3,(H,18,19)/t15-,16+/m0/s1

InChIKey

UMBAPIWARGTVLV-JKSUJKDBSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 67, 1983.