CHEBI:94761 - α-methyl-L-dopa ethyl ester

ChEBI IDCHEBI:94761
ChEBI Nameα-methyl-L-dopa ethyl ester
Stars
ASCII Namealpha-methyl-L-dopa ethyl ester
DefinitionThe ethyl ester of α-methyl-L-dopa.
Last Modified17 May 2018
DownloadsMolfile
FormulaC12H17NO4
Net Charge0
Average Mass239.271
Monoisotopic Mass239.11576
SMILESCCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
InChIInChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1
InChIKeySVEBYYWCXTVYCR-LBPRGKRZSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
alpha-adrenergic agonist  An agent that selectively binds to and activates α-adrenergic receptors.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
alpha-adrenergic agonist  An agent that selectively binds to and activates α-adrenergic receptors.
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
α-methyl-L-dopa ethyl ester (CHEBI:94761) has functional parent α-methyl-L-dopa (CHEBI:61058)
α-methyl-L-dopa ethyl ester (CHEBI:94761) has role antihypertensive agent (CHEBI:35674)
α-methyl-L-dopa ethyl ester (CHEBI:94761) has role α-adrenergic agonist (CHEBI:35569)
α-methyl-L-dopa ethyl ester (CHEBI:94761) is a amphetamines (CHEBI:35338)
α-methyl-L-dopa ethyl ester (CHEBI:94761) is a ethyl ester (CHEBI:23990)
IUPAC Name 
ethyl 3-hydroxy-α-methyl-L-tyrosinate
Synonyms  Source
Methyl-L-dopa ethyl esterDrugCentral
alpha-Methyldopa ethyl esterDrugCentral
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid ethyl esterChEBI
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoateIUPAC
Manual XrefsDatabases
LSM-5885LINCS
4218DrugCentral
Registry NumbersSources
Reaxys:2943290Reaxys
CAS:6014-30-8DrugCentral
Citations