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CHEBI:249982 - FPL 64176

ChEBI IDCHEBI:249982
ChEBI NameFPL 64176
Stars
Definition1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group.
Secondary ChEBI IDCHEBI:34753
Last Modified25 February 2016
DownloadsMolfile
FormulaC22H21NO3
Net Charge0
Average Mass347.414
Monoisotopic Mass347.15214
SMILESCOC(=O)c1c(C)nc(C)c1C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3
InChIKeyMDMWHKZANMNXTF-UHFFFAOYSA-N
Roles Classification
Biological Role:
calcium channel agonist  Agents that increase calcium influx into calcium channels of excitable tissues.
ChEBI Ontology
Outgoing Relation(s)
FPL 64176 (CHEBI:249982) has role calcium channel agonist (CHEBI:38807)
FPL 64176 (CHEBI:249982) is a carboxylic ester (CHEBI:33308)
FPL 64176 (CHEBI:249982) is a pyrroles (CHEBI:26455)
IUPAC Name 
methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Synonyms  Source
FPL64176KEGG COMPOUND
Methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylateKEGG COMPOUND
4-(2-Benzyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl esterChEMBL
Fpl-64176ChemIDplus
Fpl 64176ChemIDplus
Manual XrefsDatabases
C13759KEGG COMPOUND
LSM-3777LINCS
Registry NumbersSources
Beilstein:5445217Beilstein
Reaxys:5445217Reaxys
CAS:120934-96-5KEGG COMPOUND
CAS:120934-96-5ChemIDplus
Citations