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CHEBI:52434 - temocillin disodium

ChEBI IDCHEBI:52434
ChEBI Nametemocillin disodium
Stars
Last Modified15 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H16N2O7S2.2Na
Net Charge0
Average Mass458.425
Monoisotopic Mass458.01943
SMILES[H]C(C(=O)[O-])(C(=O)N[C@]1(OC)C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@@]21[H])c1ccsc1.[Na+].[Na+]
InChIInChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1
InChIKeyMRGCZDWBFFUEES-CWBCWDDISA-L
ChEBI Ontology
Outgoing Relation(s)
temocillin disodium (CHEBI:52434) has part temocillin(2−) (CHEBI:52438)
temocillin disodium (CHEBI:52434) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 6β-[carboxylato(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
temocillin sodiumChEBI
Temocillin disodium saltChemIDplus
Registry NumbersSources
CAS:61545-06-0ChemIDplus