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CHEBI:52151 - benzylpenicillin benethamine

ChEBI IDCHEBI:52151
ChEBI Namebenzylpenicillin benethamine
Stars
Last Modified21 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H18N.C16H17N2O4S
Net Charge0
Average Mass545.705
Monoisotopic Mass545.23483
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1.[H][N+]([H])(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1
InChIKeyJAQPGQYDZJZOIN-LQDWTQKMSA-N
ChEBI Ontology
Outgoing Relation(s)
benzylpenicillin benethamine (CHEBI:52151) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin benethamine (CHEBI:52151) is a benethamine salt (CHEBI:52150)
IUPAC Name 
N-benzyl-2-phenylethanaminium 2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate
INNs  Source
benethamine penicillinChemIDplus
benethamine penicillineChemIDplus
benethaminum penicillinumChemIDplus
Synonyms  Source
Benethamine penicillinChemIDplus
penicilina-benetaminaChemIDplus
benethamine penicillin GChEBI
penicillin G benethamineChEBI
N-benzyl-2-phenylethanaminium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Manual XrefsDatabases
GB732559Patent
Registry NumbersSources
Beilstein:3883298Beilstein
CAS:751-84-8ChemIDplus