The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	dantrolene
Synonyms	C14H10N4O5 Dantrolene 1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione dantroleno dantrolenum dantrolene
ID	http://purl.obolibrary.org/obo/CHEBI_4317
AHFScode	12:20.00
ATCCode	M03CA01
binds	http://purl.obolibrary.org/obo/dinto_2748 http://purl.obolibrary.org/obo/dinto_0901
blocks	http://purl.obolibrary.org/obo/dinto_2748
CASRN	7261-97-4
DBBrand	dantrium dantrium intravenous
DBname	dantrolene
DBSynonym	dantrolene sodium dantroleno [inn-spanish] dantrolenum [inn-latin]
Definition	The hydrazone resulting from the formal condensation of 5-(4-nitrophenyl)furfural with 1-aminohydantoin.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000376 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_0000210 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000920 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000287 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000341 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000329 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0001021 http://purl.obolibrary.org/obo/OAE_0000194 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_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0000500 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2748
has role	http://purl.obolibrary.org/obo/CHEBI_51371
InChI	InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20) InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
InChIKey	InChIKey=OZOMQRBLCMDCEG-VIZOYTHASA-N InChIKey=OZOMQRBLCMDCEG-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901
is substrate of	http://purl.obolibrary.org/obo/dinto_0901
label	dantrolene
may interact with	http://purl.obolibrary.org/obo/CHEBI_119573 http://purl.obolibrary.org/obo/CHEBI_6838 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01601 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00427 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_64355 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/dinto_DB01319 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_367163 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/dinto_DB00622 http://purl.obolibrary.org/obo/dinto_DB00976 http://purl.obolibrary.org/obo/CHEBI_45783 http://purl.obolibrary.org/obo/dinto_DB00951
modulates	http://purl.obolibrary.org/obo/dinto_2748
prefixIRI	obo2:CHEBI_4317
prefLabel	dantrolene
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O [O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)NC2=O)o1
Synonym	C14H10N4O5 Dantrolene 1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione dantroleno dantrolenum dantrolene
xref	PharmGKB:PA449208 Beilstein:705189 Wikipedia:http://en.wikipedia.org/wiki/Dantrolene IUPHAR:4172 KEGG DRUG:D02347 Guide To Pharmacology:4172 KEGG COMPOUND:C06939 Drugs.com:http://www.drugs.com/cdi/dantrolene.html DrugBank:DB01219 CASRN:7261-97-4 ChEMBL:1220183 Patent:US3415821 ChEBI:4317 National Drug Code Directory:27505-001-66 RxList:http://www.rxlist.com/cgi/generic/dantrolene.htm Patent:NL6612588 Drugs Product Database (DPD):1997602
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_4317	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4317	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	CHEBI	LOOM
http://purl.bioontology.org/ontology/RXNORM/3105	RXNORM	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_4317	DRON	LOOM
http://purl.bioontology.org/ontology/RCD/x01G2	RCD	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147795	NDFRT	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372819007	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/MESH_D003620	BERO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D003620	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/D003620	MESH	LOOM
http://purl.obolibrary.org/obo/NCIT_C61697	BERO	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU024810	LOINC	LOOM
http://www.drugbank.ca/drugs/DB01219	FTC	LOOM
http://purl.bioontology.org/ontology/CSP/1548-7165	CRISP	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018188	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/LNC/LP17990-0	LOINC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61697	NCIT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3607	OCHV	LOOM
http://www.co-ode.org/ontologies/galen#Dantrolene	GALEN	LOOM
https://go.drugbank.com/drugs/DB01219	MDM	LOOM
http://purl.obolibrary.org/obo/OMIT_0004903	OMIT	LOOM
https://bioportal.bioontology.org/ontologies/STMSO#Dantrolene	STMSO	LOOM
http://purl.bioontology.org/ontology/ATC/M03CA01	ATC	LOOM
http://stirdf.jst.go.jp/id/200907017160134437	IOBC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0010976	OCHV	LOOM
http://purl.jp/bio/4/id/200906018264327051	IOBC	LOOM
http://purl.bioontology.org/ontology/VANDF/4019703	VANDF	LOOM
http://purl.bioontology.org/ontology/SNMI/C-687D0	SNMI	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.129.308.432.555.287	RH-MESH	LOOM