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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-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
RN: 62939-46-2
InChIKey: DNFGCTAQZQQJEN-YHBGDUFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-N7-O8-S3

Molecular Weight

  • 661.7383
 
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Names and Synonyms

Synonym

  • BRN 1070802

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

Registry Numbers

CAS Registry Number

  • 62939-46-2

System Generated Number

  • 0062939462

Structure Descriptors

InChI

1S/C26H27N7O8S3/c1-3-31-8-9-32(22(38)21(31)37)25(41)28-16(13-4-6-15(34)7-5-13)19(35)27-17-20(36)33-18(24(39)40)14(10-42-23(17)33)11-43-26-30-29-12(2)44-26/h4-7,16-17,23,34H,3,8-11H2,1-2H3,(H,27,35)(H,28,41)(H,39,40)/t16?,17-,23-/m1/s1

InChIKey

DNFGCTAQZQQJEN-YHBGDUFWSA-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)CSc5nnc(s5)C)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.