CHEBI:31973 - phenoxymethylpenicillin benzathine

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ChEBI Name phenoxymethylpenicillin benzathine
ChEBI ID CHEBI:31973
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae (C16H18N2O5S)2.C16H20N2
C48H56N6O10S2
Net Charge 0
Average Mass 941.12468
Monoisotopic Mass 940.350
InChI InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1
InChIKey BBTOYUUSUQNIIY-ANPZCEIESA-N
SMILES [H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing phenoxymethylpenicillin benzathine (CHEBI:31973) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
phenoxymethylpenicillin benzathine (CHEBI:31973) is a benzathine(2+) salt (CHEBI:51347)
IUPAC Name
N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6β-(phenoxyacetamido)penam-3α-carboxylate}
Synonyms Sources
benzathine penicillin V ChemIDplus
benzathine phenoxymethylpenicillin ChemIDplus
benzathine-penicillin V (1:2) ChemIDplus
DBED-penicillin V ChemIDplus
dibenzylethylenediamine-penicillin V Patent
penicillin V benzathine ChemIDplus
Manual Xrefs Databases
D02405 KEGG DRUG
US2820789 Patent
View more database links
Registry Number Type Source
5928-84-7 CAS Registry Number ChemIDplus
Last Modified
30 March 2009