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CHEBI:32170 - sultamicillin tosylate

ChEBI IDCHEBI:32170
ChEBI Namesultamicillin tosylate
Stars
Last Modified3 August 2014
DownloadsMolfile
FormulaH.C25H30N4O9S2.C7H7O3S
Net Charge0
Average Mass766.873
Monoisotopic Mass766.16484
SMILESCc1ccc(S(=O)(=O)[O-])cc1.[H+].[H][C@]12SC(C)(C)[C@H](C(=O)OCOC(=O)[C@@H]3N4C(=O)C[C@@]4([H])S(=O)(=O)C3(C)C)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1
InChIKeyFFCSPKNZHGIDQM-CGAOXQFVSA-N
ChEBI Ontology
Outgoing Relation(s)
sultamicillin tosylate (CHEBI:32170) has part sultamicillin (CHEBI:51770)
sultamicillin tosylate (CHEBI:32170) is a organosulfonate salt (CHEBI:64382)
Synonyms  Source
Sultamicillin tosilateKEGG COMPOUND
Sultamicillin tosylateKEGG COMPOUND
Manual XrefsDatabases
C13129KEGG COMPOUND
Registry NumbersSources
CAS:83105-70-8KEGG COMPOUND