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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-ethoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
RN: 108098-19-7
InChIKey: JATJHCRHTYNDON-RHSMWYFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O5-S

Molecular Weight

  • 402.4688
 
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Names and Synonyms

Synonym

  • BRN 5661139

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-ethoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 108098-19-7

System Generated Number

  • 0108098197

Structure Descriptors

InChI

1S/C20H22N2O5S/c1-3-27-13-7-5-4-6-12(13)20(8-9-20)19(26)21-14-16(23)22-15(18(24)25)11(2)10-28-17(14)22/h4-7,14,17H,3,8-10H2,1-2H3,(H,21,26)(H,24,25)/t14-,17-/m1/s1

InChIKey

JATJHCRHTYNDON-RHSMWYFYSA-N

Smiles

CCOc1ccccc1C2(CC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 115, 1987.