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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
RN: 59723-81-8
InChIKey: YSXPGYGZFYJNEK-YHBGDUFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N5-O9-S

Molecular Weight

  • 573.5803
 
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Names and Synonyms

Synonym

  • BRN 1208041

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59723-81-8

System Generated Number

  • 0059723818

Structure Descriptors

InChI

1S/C25H27N5O9S/c1-3-28-9-10-29(22(35)21(28)34)25(38)27-16(14-7-5-4-6-8-14)19(32)26-17-20(33)30-18(24(36)37)15(11-39-13(2)31)12-40-23(17)30/h4-8,16-17,23H,3,9-12H2,1-2H3,(H,26,32)(H,27,38)(H,36,37)/t16?,17-,23-/m1/s1

InChIKey

YSXPGYGZFYJNEK-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)COC(=O)C)C(=O)O

Toxicity

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