BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

atracurium

Synonyms
Definitions

A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.

ID

http://purl.obolibrary.org/obo/CHEBI_2914

alternative term

2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

1-[(3,4-dimethoxyphenyl)methyl]-2-[3-({5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl}propanoyl)oxy]pentyl}oxy)-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Atracurium

InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2

ATRACURIUM

COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC

C53H72N2O12

InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N

definition

A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.

has role

http://purl.obolibrary.org/obo/CHEBI_51371

http://purl.obolibrary.org/obo/CHEBI_48878

label

atracurium

prefixIRI

CHEBI:2914

prefLabel

atracurium

subClassOf

http://purl.obolibrary.org/obo/CHEBI_51307

http://purl.obolibrary.org/obo/CHEBI_35267

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http://purl.obolibrary.org/obo/CHEBI_2914 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2914 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2914 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2914 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_2914 DRON SAME_URI
http://purl.bioontology.org/ontology/SNMI/C-68720 SNMI LOOM
http://purl.bioontology.org/ontology/ATC/M03AC04 ATC LOOM
http://www.co-ode.org/ontologies/galen#Atracurium GALEN LOOM
http://purl.obolibrary.org/obo/NCIT_C76068 BERO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147713 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/LP62275-0 LOINC LOOM
http://purl.bioontology.org/ontology/VANDF/4019619 VANDF LOOM
http://stirdf.jst.go.jp/id/200907075971087200 IOBC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017757 PMAPP-PMO LOOM
http://purl.jp/bio/4/id/200906086195162261 IOBC LOOM
http://purl.bioontology.org/ontology/NDDF/013420 NDDF LOOM
http://www.drugbank.ca/drugs/DB00732 FTC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#1567 OCHV LOOM
http://purl.obolibrary.org/obo/OMIT_0002662 OMIT LOOM
https://go.drugbank.com/drugs/DB13295 MDM LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C76068 NCIT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372835000 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/MESH/D001279 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0004234 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D001279 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_2914 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_2914 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_2914 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_2914 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_2914 DRON LOOM
http://purl.bioontology.org/ontology/RCD/x01Fx RCD LOOM
http://purl.bioontology.org/ontology/RXNORM/1218 RXNORM LOOM
http://purl.obolibrary.org/obo/MESH_D001279 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.531.085.061 RH-MESH LOOM