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CHEBI:749797 - penicillin v benzathine

Default Structure
ChEBI IDCHEBI:749797
ChEBI Namepenicillin v benzathine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC16H20N2.C16H18N2O5S.C16H18N2O5S
Net Charge0
Average Mass941.142
Monoisotopic Mass940.34993
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)COc1ccccc1.[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)COc1ccccc1.c1ccc(CNCCNCc2ccccc2)cc1
InChIInChI=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
InChIKeyBBTOYUUSUQNIIY-ANPZCEIESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
penicillin v benzathine (CHEBI:749797) has role antibacterial agent (CHEBI:33282)
penicillin v benzathine (CHEBI:749797) is a peptide (CHEBI:16670)
Synonyms  Source
Penicillin benzathine phenoxymethylChEMBL
Penicillin v compd with dibenzylethylenediamineChEMBL
Phenoxymethylpenicillin benzathineChEMBL