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Substance Name: Butanedioic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide
RN: 123252-98-2
InChIKey: LNHOLXKFXQSWDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-N3-O7-S2

Molecular Weight

  • 485.9234
 
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Names and Synonyms

  • Butanedioic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 123252-98-2

System Generated Number

  • 0123252982

Structure Descriptors

InChI

1S/C18H16ClN3O7S2/c1-22-15(18(25)21-12-5-3-4-8-20-12)16(29-14(24)7-6-13(23)28-2)17-10(31(22,26)27)9-11(19)30-17/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,25)

InChIKey

LNHOLXKFXQSWDT-UHFFFAOYSA-N

Smiles

CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)OC(=O)CCC(=O)OC)C(=O)Nc3ccccn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 7510ug/kg (7.51mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 94, Pg. 61, 1989.