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Substance Name: Oxacefamandole
RN: 62504-53-4
InChIKey: WNEPWYQQVULKKQ-NXLBOVRGSA-N

Note

  • Cephem ring sulfur replaced by oxygen.

Molecular Formula

  • C18-H18-N6-O6-S

Molecular Weight

  • 446.4422
 
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Names and Synonyms

Name of Substance

  • Oxacefamandole

Systematic Name

  • 5-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6alpha,7beta(R*))-(+-)-

Registry Numbers

CAS Registry Number

  • 62504-53-4

System Generated Number

  • 0062504534

Structure Descriptors

InChI

1S/C18H18N6O6S/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13?,16-/m0/s1

InChIKey

WNEPWYQQVULKKQ-NXLBOVRGSA-N

Smiles

Cn1c(nnn1)SCC2=C(N3[C@H]([C@H](C3=O)NC(=O)C(c4ccccc4)O)OC2)C(=O)O