EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94754 - acetic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester

Default Structure
ChEBI IDCHEBI:94754
ChEBI Nameacetic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H25NO3
Net Charge0
Average Mass279.380
Monoisotopic Mass279.18344
SMILESCC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
InChIInChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
InChIKeyVRYMTAVOXVTQEF-UHFFFAOYSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
acetic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester (CHEBI:94754) has role cardiovascular drug (CHEBI:35554)
acetic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester (CHEBI:94754) has role vasodilator agent (CHEBI:35620)
acetic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester (CHEBI:94754) is a monoterpenoid (CHEBI:25409)
INN  Source
moxisilitaWHO MedNet
Synonyms  Source
acetoxythymoxamineDrugCentral
carlyteneDrugCentral
moxiliteDrugCentral
moxisyliteDrugCentral
moxisylytDrugCentral
moxisylyteChEMBL
Brand Names  Source
ErecnosChEMBL
MoxivigChEMBL
Manual XrefsDatabases
1855DrugCentral
LSM-5868LINCS
Registry NumbersSources
CAS:54-32-0DrugCentral
Citations