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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > cefbuperazone sodium
organooxygen compound > carboxamide > peptide > cefbuperazone sodium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cefbuperazone sodium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cefbuperazone sodium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cefbuperazone sodium

Preferred term

cefbuperazone sodium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H28N9NaO9S2
  • C22H28N9O9S2.Na

inchi

  • InChI=1S/C22H29N9O9S2.Na/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3;/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37);/q;+1/p-1/t10-,12+,19+,22-;/m0./s1

inchikey

  • WNJOIIXGSLBJAS-FDVIUCIPSA-M

mass

  • 649.635

monoisotopicmass

  • 649.13491

smiles

  • [C@]12(N(C(=C(CS1)CSC3=NN=NN3C)C(=O)[O-])C([C@]2(NC(=O)[C@](NC(N4C(C(N(CC4)CC)=O)=O)=O)([C@@H](O)C)[H])OC)=O)[H].[Na+]

subset

  • 2_STAR

synonym EXACT

  • Cefbuperazone sodium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31365

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