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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)phenylacetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
RN: 59723-84-1
InChIKey: RZVGWFLKVAQWIJ-YHBGDUFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-N7-O7-S3

Molecular Weight

  • 645.7393
 
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Names and Synonyms

Synonym

  • BRN 0604864

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)phenylacetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

Registry Numbers

CAS Registry Number

  • 59723-84-1

System Generated Number

  • 0059723841

Structure Descriptors

InChI

1S/C26H27N7O7S3/c1-3-31-9-10-32(22(37)21(31)36)25(40)28-16(14-7-5-4-6-8-14)19(34)27-17-20(35)33-18(24(38)39)15(11-41-23(17)33)12-42-26-30-29-13(2)43-26/h4-8,16-17,23H,3,9-12H2,1-2H3,(H,27,34)(H,28,40)(H,38,39)/t16?,17-,23-/m1/s1

InChIKey

RZVGWFLKVAQWIJ-YHBGDUFWSA-N

Smiles

CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnc(s5)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 2gm/kg (2000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1073, 1979.