CHEBI:51765 - benzylpenicillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzylpenicillin sodium
ChEBI ID CHEBI:51765
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H17N2NaO4S
Net Charge 0
Average Mass 356.37200
Monoisotopic Mass 356.08067
InChI InChI=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
InChIKey FCPVYOBCFFNJFS-LQDWTQKMSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
American penicillin ChemIDplus
benzylpenicillin sodium salt ChemIDplus
benzylpenicillinic acid sodium salt ChemIDplus
monosodium benzylpenicillin ChemIDplus
penicillin G sodium ChemIDplus
sodium benzylpenicillinate ChemIDplus
sodium penicillin G ChemIDplus
Brand Name Source
Crystapen ChemIDplus
Registry Numbers Types Sources
3834217 Beilstein Registry Number Beilstein
69-57-8 CAS Registry Number ChemIDplus
Last Modified
29 June 2010