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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(3-chloro-4-hydroxyphenyl)acetyl)amino)-3-(methylthio)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
RN: 87950-82-1
InChIKey: ZYSLMYVNRJALOB-HUFXEGEASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl-N3-O5-S2

Molecular Weight

  • 429.9034
 
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Names and Synonyms

Synonym

  • 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(3-chloro-4-hydroxyphenyl)acetyl)amino)-3-(methylthio)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

Registry Numbers

CAS Registry Number

  • 87950-82-1

System Generated Number

  • 0087950821

Structure Descriptors

InChI

1S/C16H16ClN3O5S2/c1-26-9-5-27-15-11(14(23)20(15)12(9)16(24)25)19-13(22)10(18)6-2-3-8(21)7(17)4-6/h2-4,10-11,15,21H,5,18H2,1H3,(H,19,22)(H,24,25)/t10?,11-,15-/m1/s1

InChIKey

ZYSLMYVNRJALOB-HUFXEGEASA-N

Smiles

CSC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(c3ccc(c(c3)Cl)O)N)SC1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 1325, 1987.