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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-butoxyphenyl)cyclobutyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
RN: 108098-24-4
InChIKey: UJJPOFIYCNSSCH-YLJYHZDGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O5-S

Molecular Weight

  • 444.5492
 
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Names and Synonyms

Synonym

  • BRN 5671062

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108098-24-4

System Generated Number

  • 0108098244

Structure Descriptors

InChI

1S/C23H28N2O5S/c1-3-4-12-30-16-8-6-15(7-9-16)23(10-5-11-23)22(29)24-17-19(26)25-18(21(27)28)14(2)13-31-20(17)25/h6-9,17,20H,3-5,10-13H2,1-2H3,(H,24,29)(H,27,28)/t17-,20-/m1/s1

InChIKey

UJJPOFIYCNSSCH-YLJYHZDGSA-N

Smiles

CCCCOc1ccc(cc1)C2(CCC2)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.