CHEBI:52434 - temocillin disodium

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ChEBI Name temocillin disodium
ChEBI ID CHEBI:52434
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H16N2Na2O7S2
Net Charge 0
Average Mass 458.41700
Monoisotopic Mass 458.01943
InChI InChI=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
InChIKey MRGCZDWBFFUEES-CWBCWDDISA-L
SMILES [Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C([H])(C([O-])=O)c1ccsc1)OC)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
Temocillin disodium salt ChemIDplus
temocillin sodium ChEBI
Registry Number Type Source
61545-06-0 CAS Registry Number ChemIDplus
Last Modified
15 May 2009