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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)-3-(((1-methyl-1H-1,3,4-triazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
RN: 77656-86-1
InChIKey: JKUSSWTWMMJQEP-QPVHSEHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N8-O8-S2

Molecular Weight

  • 644.6872
 
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Names and Synonyms

  • 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)-3-(((1-methyl-1H-1,3,4-triazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

Registry Numbers

CAS Registry Number

  • 77656-86-1

System Generated Number

  • 0077656861

Structure Descriptors

InChI

1S/C26H28N8O8S2/c1-3-32-8-9-33(23(39)22(32)38)26(42)29-17(13-4-6-15(35)7-5-13)20(36)28-18-21(37)34-19(25(40)41)14(12-44-24(18)34)11-43-16-10-27-30-31(16)2/h4-7,10,17-18,24,35H,3,8-9,11-12H2,1-2H3,(H,28,36)(H,29,42)(H,40,41)/t17?,18-,24-/m1/s1

InChIKey

JKUSSWTWMMJQEP-QPVHSEHFSA-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)CSc5cnnn5C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 4gm/kg (4000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1073, 1979.