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Substance Name: Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-(o-hydroxy-alpha-sulfobenzylamino)-, methyl ester
RN: 102612-88-4
InChIKey: XFVHQQNEQQVNRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Cl-N2-O6-S2

Molecular Weight

  • 468.9363
 
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Names and Synonyms

Synonym

  • 2-p-Hydroxybenzylamino-alpha-sulpho-4-p-chlorophenyl thiazolo-5-acetic acid methyl ester

Systematic Name

  • Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-(o-hydroxy-alpha-sulfobenzylamino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 102612-88-4

System Generated Number

  • 0102612884

Structure Descriptors

InChI

1S/C19H17ClN2O6S2/c1-28-17(24)10-16-18(12-6-8-14(20)9-7-12)21-19(29-16)22(30(25,26)27)11-13-4-2-3-5-15(13)23/h2-9,23H,10-11H2,1H3,(H,25,26,27)

InChIKey

XFVHQQNEQQVNRL-UHFFFAOYSA-N

Smiles

COC(=O)Cc1c(nc(s1)N(Cc2ccccc2O)S(=O)(=O)O)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 435mg/kg (435mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 27, Pg. 795, 1979.