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Substance Name: 5-Thiazolidineacetic acid, 3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-(phenylimino)-
RN: 67931-64-0
InChIKey: DHOFIXHSEQNPBF-QURGRASLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O5-S

Molecular Weight

  • 414.4798
 
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Names and Synonyms

Synonym

  • 3-(2-(3,4-Dimethoxyphenyl)ethyl)-4-oxo-2-(phenylimino)-5-thiazolidineacetic acid

Systematic Name

  • 5-Thiazolidineacetic acid, 3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-(phenylimino)-

Registry Numbers

CAS Registry Number

  • 67931-64-0

System Generated Number

  • 0067931640

Structure Descriptors

InChI

1S/C21H22N2O5S/c1-27-16-9-8-14(12-17(16)28-2)10-11-23-20(26)18(13-19(24)25)29-21(23)22-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,24,25)/b22-21+

InChIKey

DHOFIXHSEQNPBF-QURGRASLSA-N

Smiles

COc1ccc(cc1OC)CCN\2C(=O)C(S/C2=N/c3ccccc3)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 21, Pg. 177, 1978.