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Substance Name: BB-S 226
RN: 52727-70-5
InChIKey: TYUABEAJISXFLD-YLJYHZDGSA-N

Molecular Weight

  • 512.573
 
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Names and Synonyms

Name of Substance

  • BB-S 226

Synonyms

  • 7-(o-Aminomethylphenylacetamido)-3-(tetrazolo(4,5-b)pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acid
  • BB-S-226

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-(aminomethyl)phenyl)acetyl)amino)-8-oxo-3-((tetrazolo(1,5-b)pyridazin-6-ylthio)methyl)-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 52727-70-5

System Generated Number

  • 0052727705

Structure Descriptors

InChI

1S/C21H20N8O4S2/c22-8-12-4-2-1-3-11(12)7-15(30)23-17-19(31)28-18(21(32)33)13(10-35-20(17)28)9-34-16-6-5-14-24-26-27-29(14)25-16/h1-6,17,20H,7-10,22H2,(H,23,30)(H,32,33)/t17-,20-/m1/s1

InChIKey

TYUABEAJISXFLD-YLJYHZDGSA-N

Smiles

NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4ccc5nnnn5n4