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CHEBI:133944 - sodium amoxicilloate

ChEBI IDCHEBI:133944
ChEBI Namesodium amoxicilloate
Stars
DefinitionAn organic sodium salt that is the monosodium salt of amoxicilloic acid.
Last Modified14 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H20N3O6S.Na
Net Charge0
Average Mass405.408
Monoisotopic Mass405.09705
SMILES[H][C@@]1([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)O)N[C@@H](C(=O)[O-])C(C)(C)S1.[Na+]
InChIInChI=1S/C16H21N3O6S.Na/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);/q;+1/p-1/t9-,10+,11+,13-;/m1./s1
InChIKeyOWFQIGGKWCUTRP-ODFUGKNXSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium amoxicilloate (CHEBI:133944) has part amoxicilloate (CHEBI:133943)
sodium amoxicilloate (CHEBI:133944) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (2R,4S)-2-[(R)-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Synonym  Source
amoxicilloic acid sodium saltChEBI
Citations