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CHEBI:77817 - ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate

ChEBI IDCHEBI:77817
ChEBI Nameethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
Stars
DefinitionAn amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. It has four possible diastereoisomers; the opioid analgesic drug tilidine is a racemate comprising the two trans diastereoisomers.
Last Modified2 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H23NO2
Net Charge0
Average Mass273.376
Monoisotopic Mass273.17288
SMILESCCOC(=O)C1(c2ccccc2)CCC=CC1N(C)C
InChIInChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3
InChIKeyWDEFBBTXULIOBB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) has functional parent ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835)
ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a amino-acid ester (CHEBI:46668)
ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a ethyl ester (CHEBI:23990)
ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
ent-dextilidine (CHEBI:77821) is a ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817)
dextilidine (CHEBI:77822) is a ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77817)
IUPAC Name 
ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
Registry NumbersSources
CAS:17243-69-5ChemIDplus