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CHEBI:52154 - benzylpenicillin procaine
| Formula | H.C13H20N2O2.C16H17N2O4S |
| Net Charge | 0 |
| Average Mass | 570.712 |
| Monoisotopic Mass | 570.25121 |
| SMILES | CCN(CC)CCOC(=O)c1ccc(N)cc1.[H+].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1 |
| InChI | InChI=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 |
| InChIKey | WHRVRSCEWKLAHX-LQDWTQKMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benzylpenicillin procaine (CHEBI:52154) has part benzylpenicillin(1−) (CHEBI:51354) |
| benzylpenicillin procaine (CHEBI:52154) is a procaine(1+) salt (CHEBI:52161) |
| IUPAC Name |
|---|
| hydrogen 2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate—2-(diethylamino)ethyl 4-aminobenzoate (1:1) |
| Synonyms | Source |
|---|---|
| Penicillin procaine (anhydrous) | ChemIDplus |
| Penicillin G procaine | ChemIDplus |
| Procaine benzylpenicillinate | ChemIDplus |
| hydrogen (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate—2-(diethylamino)ethyl 4-aminobenzoate (1:1) | IUPAC |