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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, (6R-(6-alpha,7-beta(R*)))-
RN: 67474-96-8
InChIKey: ZNBKYKROANOUDK-WTKTZPJXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-N7-O8-S3

Molecular Weight

  • 647.7115
 
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Names and Synonyms

Synonym

  • BRN 0603066

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, (6R-(6-alpha,7-beta(R*)))-

Registry Numbers

CAS Registry Number

  • 67474-96-8

System Generated Number

  • 0067474968

Structure Descriptors

InChI

1S/C25H25N7O8S3/c1-2-30-7-8-31(21(37)20(30)36)24(40)28-15(12-3-5-14(33)6-4-12)18(34)27-16-19(35)32-17(23(38)39)13(9-41-22(16)32)10-42-25-29-26-11-43-25/h3-6,11,15-16,22,33H,2,7-10H2,1H3,(H,27,34)(H,28,40)(H,38,39)/t15?,16-,22-/m1/s1

InChIKey

ZNBKYKROANOUDK-WTKTZPJXSA-N

Smiles

CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nncs5)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 3gm/kg (3000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1073, 1979.