CHEBI:35017 - ticarcillin disodium

ChEBI IDCHEBI:35017
ChEBI Nameticarcillin disodium
Stars
Last Modified5 February 2009
DownloadsMolfile
FormulaC15H14N2O6S2.2Na
Net Charge0
Average Mass428.399
Monoisotopic Mass428.00887
SMILES[H][C@](C(=O)[O-])(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@]12[H])c1ccsc1.[Na+].[Na+]
InChIInChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1
InChIKeyZBBCUBMBMZNEME-QBGWIPKPSA-L
ChEBI Ontology
Outgoing Relation(s)
ticarcillin disodium (CHEBI:35017) has part ticarcillin(2−) (CHEBI:51811)
ticarcillin disodium (CHEBI:35017) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 6β-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
Ticarcillin disodiumKEGG COMPOUND
ticarcillin sodiumKEGG DRUG
N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium saltChemIDplus
disodium (2S,5R,6R)-6-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Brand Names  Source
TicarKEGG DRUG
AerugipenKEGG COMPOUND
TicarpenChemIDplus
Manual XrefsDatabases
C14021KEGG COMPOUND
D02241KEGG DRUG
Registry NumbersSources
Beilstein:5722397Beilstein
CAS:4697-14-7KEGG COMPOUND
CAS:4697-14-7ChemIDplus