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CHEBI:749925 - procaine benzylpenicillin

Default Structure
ChEBI IDCHEBI:749925
ChEBI Nameprocaine benzylpenicillin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H20N2O2.C16H18N2O4S
Net Charge0
Average Mass570.712
Monoisotopic Mass570.25121
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1.[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccccc1
InChIInChI=1S/C16H18N2O4S.C13H20N2O2/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;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t11-,12+,14-;/m1./s1
InChIKeyWHRVRSCEWKLAHX-LQDWTQKMSA-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)
procaine benzylpenicillin (CHEBI:749925) has role antibacterial agent (CHEBI:33282)
procaine benzylpenicillin (CHEBI:749925) is a peptide (CHEBI:16670)
Synonyms  Source
E707ChEMBL
Procaine benzylpenicillinChEMBL
Brand Names  Source
Cilicaine syringeChEMBL
DepocillinChEMBL