The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	esmolol
Synonyms	C16H25NO4 methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate ESMOLOL methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate esmolol Esmolol (+-)-esmolol 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate
ID	http://purl.obolibrary.org/obo/CHEBI_4856
AHFScode	24:24.00
altId	CHEBI:143354
ATCCode	C07AB09
binds	http://purl.obolibrary.org/obo/dinto_2907
blocks	http://purl.obolibrary.org/obo/dinto_2907
CASRN	103598-03-4
DBBrand	esmolol hcl brevibloc esmolol hydrochloride
DBname	esmolol
Definition	A carboxylic ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenoic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0001297 http://purl.obolibrary.org/obo/OAE_0001285 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0000557 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000630 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000335 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0001370 http://purl.obolibrary.org/obo/OAE_0001436 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0001051 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000281 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000426 http://purl.obolibrary.org/obo/OAE_0001538 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0001105 http://purl.obolibrary.org/obo/OAE_0000995 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000674 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001742 http://purl.obolibrary.org/obo/OAE_0000606 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000242 http://purl.obolibrary.org/obo/OAE_0001298
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2907
has role	http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_35530
InChI	InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
InChIKey	InChIKey=AQNDDEOPVVGCPG-UHFFFAOYSA-N
label	esmolol
may interact with	http://purl.obolibrary.org/obo/dinto_DB01307 http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/CHEBI_2549 http://purl.obolibrary.org/obo/dinto_DB00839 http://purl.obolibrary.org/obo/dinto_DB00912 http://purl.obolibrary.org/obo/CHEBI_28918 http://purl.obolibrary.org/obo/CHEBI_3650 http://purl.obolibrary.org/obo/CHEBI_5147 http://purl.obolibrary.org/obo/CHEBI_5441 http://purl.obolibrary.org/obo/dinto_DB01306 http://purl.obolibrary.org/obo/CHEBI_49662 http://purl.obolibrary.org/obo/CHEBI_8249 http://purl.obolibrary.org/obo/dinto_DB01064 http://purl.obolibrary.org/obo/CHEBI_149226 http://purl.obolibrary.org/obo/CHEBI_584020 http://purl.obolibrary.org/obo/dinto_DB01291 http://purl.obolibrary.org/obo/dinto_DB00047 http://purl.obolibrary.org/obo/dinto_DB01289 http://purl.obolibrary.org/obo/dinto_DB01366 http://purl.obolibrary.org/obo/CHEBI_5855 http://purl.obolibrary.org/obo/CHEBI_9449 http://purl.obolibrary.org/obo/CHEBI_9445 http://purl.obolibrary.org/obo/dinto_DB01067 http://purl.obolibrary.org/obo/dinto_DB00414 http://purl.obolibrary.org/obo/CHEBI_9011 http://purl.obolibrary.org/obo/CHEBI_50861 http://purl.obolibrary.org/obo/dinto_DB00236 http://purl.obolibrary.org/obo/dinto_DB00046 http://purl.obolibrary.org/obo/CHEBI_4822 http://purl.obolibrary.org/obo/dinto_DB01382 http://purl.obolibrary.org/obo/CHEBI_4657 http://purl.obolibrary.org/obo/CHEBI_46631 http://purl.obolibrary.org/obo/dinto_DB01287 http://purl.obolibrary.org/obo/CHEBI_6456 http://purl.obolibrary.org/obo/CHEBI_27999 http://purl.obolibrary.org/obo/CHEBI_8364 http://purl.obolibrary.org/obo/dinto_DB00816 http://purl.obolibrary.org/obo/CHEBI_64318 http://purl.obolibrary.org/obo/CHEBI_31654 http://purl.obolibrary.org/obo/CHEBI_4562 http://purl.obolibrary.org/obo/dinto_DB01309
modulates	http://purl.obolibrary.org/obo/dinto_2907
prefixIRI	obo2:CHEBI_4856
prefLabel	esmolol
SMILES	COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1 COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Synonym	C16H25NO4 methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate ESMOLOL methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate esmolol Esmolol (+-)-esmolol 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate
xref	CiteXplore:16118074 KEGG DRUG:D07916 PubChem Substance:46506146 Wikipedia:Esmolol Drugs Product Database (DPD):2188864 Beilstein:5287174 RxList:http://www.rxlist.com/cgi/generic3/esmolol.htm Drugs.com:http://www.drugs.com/cdi/esmolol.html National Drug Code Directory:0641-2965-45 Patent:US4593119 PubChem Compound:59768 Patent:EP41491 PharmGKB:PA449500 ChemSpider:53916 KEGG COMPOUND:C06980 Patent:EP53435 Wikipedia:http://en.wikipedia.org/wiki/Esmolol DrugBank:DB00187 CASRN:81147-92-4 ChEBI:4856 Reaxys:5287174 CASRN:103598-03-4
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_4856	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4856	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_4856	CHEBI	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372847006	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/RCD/x01C3	RCD	LOOM
http://www.drugbank.ca/drugs/DB00187	FTC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147837	NDFRT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#16266	OCHV	LOOM
http://purl.bioontology.org/ontology/VANDF/4019746	VANDF	LOOM
http://purl.obolibrary.org/obo/CHEBI_4856	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4856	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4856	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_4856	DRON	LOOM
http://stirdf.jst.go.jp/id/200907065670022085	IOBC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C036604	RH-MESH	LOOM
http://purl.jp/bio/4/id/200906042567597467	IOBC	LOOM
http://bmi.utah.edu/ontologies/hfontology/C0116569	HFO	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025521	PMAPP-PMO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0116569	OCHV	LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_53f0c34d_7ae0_4b0d_8078_903aa418251c	STO-DRAFT	LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_53f0c34d_7ae0_4b0d_8078_903aa418251c	CVAO	LOOM
http://purl.bioontology.org/ontology/MESH/C036604	MESH	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C72617	NCIT	LOOM
http://www.co-ode.org/ontologies/galen#Esmolol	GALEN	LOOM
http://www.semanticweb.org/administrator/ontologies/2022/0/untitled-ontology-34#OWLClass9b4801aa_1ee6_491a_9da3_399698a4af6c	WWECA	LOOM
http://purl.bioontology.org/ontology/ATC/C07AB09	ATC	LOOM
https://go.drugbank.com/drugs/DB00187	MDM	LOOM
http://purl.bioontology.org/ontology/RXNORM/49737	RXNORM	LOOM
http://purl.bioontology.org/ontology/SNMI/C-803E0	SNMI	LOOM
http://purl.obolibrary.org/obo/NCIT_C72617	BERO	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000728842	PDQ	LOOM