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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-
RN: 108098-25-5
InChIKey: AIWZOOCGVSNWIT-RHSMWYFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O4-S

Molecular Weight

  • 386.4698
 
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Names and Synonyms

Synonym

  • BRN 5656395

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108098-25-5

System Generated Number

  • 0108098255

Structure Descriptors

InChI

1S/C20H22N2O4S/c1-12-11-27-17-14(16(23)22(17)15(12)18(24)25)21-19(26)20(9-5-6-10-20)13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3,(H,21,26)(H,24,25)/t14-,17-/m1/s1

InChIKey

AIWZOOCGVSNWIT-RHSMWYFYSA-N

Smiles

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CCCC3)c4ccccc4)SC1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 3500mg/kg (3500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 115, 1987.