EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:52139 - benzylpenicillin clemizole
| Formula | C16H17N2O4S.C19H21ClN3 |
| Net Charge | 0 |
| Average Mass | 660.240 |
| Monoisotopic Mass | 659.23330 |
| SMILES | Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc32)cc1.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1 |
| InChI | InChI=1S/C19H20ClN3.C16H18N2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h1-2,5-10H,3-4,11-14H2;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t;11-,12+,14-/m.1/s1 |
| InChIKey | GKPMEGXMKPQRTN-CBDIPHIASA-N |
| Roles Classification |
|---|
| Biological Role: | H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. |
| Application: | H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benzylpenicillin clemizole (CHEBI:52139) has part benzylpenicillin(1−) (CHEBI:51354) |
| benzylpenicillin clemizole (CHEBI:52139) has role H1-receptor antagonist (CHEBI:37955) |
| benzylpenicillin clemizole (CHEBI:52139) is a clemizole(1+) salt (CHEBI:52147) |
| IUPAC Name |
|---|
| 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium 2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate |
| INNs | Source |
|---|---|
| clemizole penicillin | ChemIDplus |
| clemizol-penicilina | ChemIDplus |
| clemizole penicilline | ChemIDplus |
| clemizolum penicillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | IUPAC |
| Clemizole penicillin | ChemIDplus |
| Clemizolpenicillin | ChemIDplus |
| penicillin G clemizole | ChEBI |