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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-butoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
RN: 108098-31-3
InChIKey: NMNGMLOZSUAYTB-WIYYLYMNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O5-S

Molecular Weight

  • 458.576
 
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Names and Synonyms

Synonym

  • BRN 5672311

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108098-31-3

System Generated Number

  • 0108098313

Structure Descriptors

InChI

1S/C24H30N2O5S/c1-3-4-13-31-17-9-7-16(8-10-17)24(11-5-6-12-24)23(30)25-18-20(27)26-19(22(28)29)15(2)14-32-21(18)26/h7-10,18,21H,3-6,11-14H2,1-2H3,(H,25,30)(H,28,29)/t18-,21-/m1/s1

InChIKey

NMNGMLOZSUAYTB-WIYYLYMNSA-N

Smiles

CCCCOc1ccc(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 > 2500mg/kg (2500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 115, 1987.