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:
alpha-adrenergic agonist  An agent that selectively binds to and activates α-adrenergic receptors.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid ethyl esterChEBI
alpha-Methyldopa ethyl esterDrugCentral
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoateIUPAC
Methyl-L-dopa ethyl esterDrugCentral
Manual XrefsDatabases
4218DrugCentral
LSM-5885LINCS
Registry NumbersSources
Reaxys:2943290Reaxys
CAS:6014-30-8DrugCentral
Citations