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CHEBI:51352 - benzylpenicillin benzathine

ChEBI IDCHEBI:51352
ChEBI Namebenzylpenicillin benzathine
Stars
DefinitionA benzathine(2+) salt in which the counter anions are benzylpenicillin(1−). Drug-of-choice when prolonged low concentrations of benzylpenicillin are required and appropriate.
Last Modified10 February 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
Formula2C16H17N2O4S.C16H22N2
Net Charge0
Average Mass909.144
Monoisotopic Mass908.36010
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1.[H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;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
InChIKeyBVGLIYRKPOITBQ-ANPZCEIESA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
benzylpenicillin benzathine (CHEBI:51352) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin benzathine (CHEBI:51352) is a benzathine(2+) salt (CHEBI:51347)
IUPAC Name 
N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate}
INNs  Source
benzathine benzylpénicillineChemIDplus
benzathini benzylpenicillinumChemIDplus
benzatina bencilpenicilinaChemIDplus
benzathine benzylpenicillinChemIDplus
Synonyms  Source
penicillin G benzathine anhydrousChemIDplus
penicillin G benzathineChemIDplus
N,N'-dibenzylethylenediamine bis(benzyl penicillin)ChemIDplus
benzylpenicillin dibenzylethylenediamine saltChemIDplus
penicillin G salt of N,N'-dibenzylethylenediamineChemIDplus
bicillinChEBI
Brand Names  Source
BeacillinChemIDplus
Bicillin L-AChemIDplus
CepacilinaChemIDplus
ExtencillineChemIDplus
LentopenilChemIDplus
PeniduralChemIDplus
Manual XrefsDatabases
US2627491Patent
Benzathine_benzylpenicillinWikipedia
Registry NumbersSources
Reaxys:4122035Reaxys
CAS:1538-09-6ChemIDplus
Citations