CHEBI:31365 - Cefbuperazone sodium

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ChEBI Name Cefbuperazone sodium
ChEBI ID CHEBI:31365
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H28N9NaO9S2
C22H28N9O9S2.Na
Net Charge 0
Average Mass 649.635
Monoisotopic Mass 649.13491
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
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+]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Cefbuperazone sodium (CHEBI:31365) is a peptide (CHEBI:16670)
Synonym Source
Cefbuperazone sodium KEGG COMPOUND
Manual Xref Database
D01736 KEGG DRUG
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Registry Number Type Source
76648-01-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017