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Substance Name: 3(2H)-Benzothiazolepropanoic acid, 2-(4-(3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene)-6-methyl-
RN: 62883-67-4
InChIKey: LEKUJPLNTYXVHZ-UMWQXFNESA-N

Molecular Formula

  • C21-H20-N2-O5-S3

Molecular Weight

  • 476.596
 
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Names and Synonyms

Synonym

  • NK 1901

Systematic Name

  • 3(2H)-Benzothiazolepropanoic acid, 2-(4-(3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene)-6-methyl-

Registry Numbers

CAS Registry Number

  • 62883-67-4

System Generated Number

  • 0062883674

Structure Descriptors

InChI

1S/C21H20N2O5S3/c1-13-6-7-14-16(12-13)30-17(22(14)10-8-18(24)25)5-3-2-4-15-20(28)23(21(29)31-15)11-9-19(26)27/h2-7,12H,8-11H2,1H3,(H,24,25)(H,26,27)/b3-2+,15-4-,17-5+

InChIKey

LEKUJPLNTYXVHZ-UMWQXFNESA-N

Smiles

Cc1ccc2c(c1)S/C(=C/C=C/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)/N2CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 28mg/kg (28mg/kg) KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.