CHEBI:52139 - benzylpenicillin clemizole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzylpenicillin clemizole
ChEBI ID CHEBI:52139
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C16H17N2O4S.C19H21ClN3
C35H38ClN5O4S
Net Charge 0
Average Mass 660.22500
Monoisotopic Mass 659.23330
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
SMILES Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O
Roles Classification
Biological Role(s): 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(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
clemizol-penicilina ChemIDplus
clemizole penicillin ChemIDplus
clemizole penicilline ChemIDplus
clemizolum penicillinum ChemIDplus
Synonyms Sources
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
Manual Xref Database
D07712 KEGG DRUG
View more database links
Registry Numbers Types Sources
3895335 Beilstein Registry Number Beilstein
6011-39-8 CAS Registry Number ChemIDplus
Last Modified
17 March 2009