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CHEBI:83605 - 3,5-diethoxycarbonyl-1,4-dihydrocollidine

ChEBI IDCHEBI:83605
ChEBI Name3,5-diethoxycarbonyl-1,4-dihydrocollidine
Stars
DefinitionA dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5.
Last Modified2 March 2015
Submitternamrata
DownloadsMolfile
FormulaC14H21NO4
Net Charge0
Average Mass267.325
Monoisotopic Mass267.14706
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C
InChIInChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
InChIKeyCDVAIHNNWWJFJW-UHFFFAOYSA-N
Roles Classification
Biological Role:
hepatic steatosis inducing agent  Any hepatotoxic agent capable of inducing liver steatosis or fatty liver disease.
ChEBI Ontology
Outgoing Relation(s)
3,5-diethoxycarbonyl-1,4-dihydrocollidine (CHEBI:83605) has role hepatic steatosis inducing agent (CHEBI:83612)
3,5-diethoxycarbonyl-1,4-dihydrocollidine (CHEBI:83605) is a dihydropyridine (CHEBI:50075)
3,5-diethoxycarbonyl-1,4-dihydrocollidine (CHEBI:83605) is a ethyl ester (CHEBI:23990)
IUPAC Name 
diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms  Source
DDCChEBI
dicarbethoxydihydrocollidineChemIDplus
3,5-bis(ethoxycarbonyl)-1,4-dihydrocollidineChemIDplus
Registry NumbersSources
Reaxys:227619Reaxys
CAS:632-93-9ChemIDplus
Citations