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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(2-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
RN: 108098-20-0
InChIKey: GRMHDGWVOOGNEH-CRAIPNDOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O5-S

Molecular Weight

  • 416.4956
 
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Names and Synonyms

Synonym

  • BRN 5666443

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108098-20-0

System Generated Number

  • 0108098200

Structure Descriptors

InChI

1S/C21H24N2O5S/c1-3-10-28-14-7-5-4-6-13(14)21(8-9-21)20(27)22-15-17(24)23-16(19(25)26)12(2)11-29-18(15)23/h4-7,15,18H,3,8-11H2,1-2H3,(H,22,27)(H,25,26)/t15-,18-/m1/s1

InChIKey

GRMHDGWVOOGNEH-CRAIPNDOSA-N

Smiles

CCCOc1ccccc1C2(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 > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 115, 1987.