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CHEBI:51765 - benzylpenicillin sodium

ChEBI IDCHEBI:51765
ChEBI Namebenzylpenicillin sodium
Stars
Last Modified29 June 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H17N2O4S.Na
Net Charge0
Average Mass356.379
Monoisotopic Mass356.08067
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1.[Na+]
InChIInChI=1S/C16H18N2O4S.Na/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;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
InChIKeyFCPVYOBCFFNJFS-LQDWTQKMSA-M
ChEBI Ontology
Outgoing Relation(s)
benzylpenicillin sodium (CHEBI:51765) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin sodium (CHEBI:51765) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate
Synonyms  Source
penicillin G sodiumChemIDplus
monosodium benzylpenicillinChemIDplus
sodium penicillin GChemIDplus
sodium benzylpenicillinateChemIDplus
benzylpenicillinic acid sodium saltChemIDplus
benzylpenicillin sodium saltChemIDplus
Brand Name  Source
CrystapenChemIDplus
Registry NumbersSources
Beilstein:3834217Beilstein
CAS:69-57-8ChemIDplus