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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-ethoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
RN: 108098-27-7
InChIKey: QIHYYQLUMHDLTE-VQIMIIECSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O5-S

Molecular Weight

  • 430.5224
 
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Names and Synonyms

Synonym

  • BRN 5668266

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-ethoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 108098-27-7

System Generated Number

  • 0108098277

Structure Descriptors

InChI

1S/C22H26N2O5S/c1-3-29-15-8-6-14(7-9-15)22(10-4-5-11-22)21(28)23-16-18(25)24-17(20(26)27)13(2)12-30-19(16)24/h6-9,16,19H,3-5,10-12H2,1-2H3,(H,23,28)(H,26,27)/t16-,19-/m1/s1

InChIKey

QIHYYQLUMHDLTE-VQIMIIECSA-N

Smiles

CCOc1ccc(cc1)C2(CCCC2)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 > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 115, 1987.