The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_2914 http://purl.obolibrary.org/obo/CHEBI_2914
Preferred Name	atracurium
Synonyms	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] C53H72N2O12 ATRACURIUM Atracurium 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
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	atracurium
label	atracurium
ATCCode	M03AC04 M03AC11
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.
altId	CHEBI:340391 CHEBI:406485
has effect	http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000493 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000677 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000362 See more See less
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2747
inhibits	http://purl.obolibrary.org/obo/dinto_2747
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_51371 http://purl.obolibrary.org/obo/CHEBI_48878
InChIKey	InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N
AHFScode	12:20.00
Synonym	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] C53H72N2O12 ATRACURIUM Atracurium 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
xref	ChEBI:2914 BindingDB:50149881 ChemSpider:43067 KEGG COMPOUND:C07548 Wikipedia:Atracurium Wikipedia:http://en.wikipedia.org/wiki/Atracurium PubChem Compound:47319 RxList:http://www.rxlist.com/cgi/generic2/trac.htm ChEMBL:15225721 DrugBank:DB00732 Drugs Product Database (DPD):2236319 DrugBank:64228-79-1 ChEMBL:11123992 Beilstein:1523633 CASRN:64228-79-1 PubChem Substance:46504689 PharmGKB:PA164776840 See more See less
CASRN	64228-79-1
prefixIRI	obo2:CHEBI_2914
SMILES	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 COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1
may interact with	http://purl.obolibrary.org/obo/dinto_DB01303 http://purl.obolibrary.org/obo/CHEBI_2948 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB01223 http://purl.obolibrary.org/obo/dinto_DB01627 http://purl.obolibrary.org/obo/dinto_DB01190 http://purl.obolibrary.org/obo/dinto_DB00798 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/dinto_DB00955 http://purl.obolibrary.org/obo/dinto_DB00684 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/CHEBI_50667 http://purl.obolibrary.org/obo/CHEBI_59662 http://purl.obolibrary.org/obo/CHEBI_2637 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_15854 http://purl.obolibrary.org/obo/CHEBI_28177 http://purl.obolibrary.org/obo/CHEBI_8232 See more See less
DBname	atracurium
InChI	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
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

Add comment

Add proposal

Subscribe to notes emails

Delete	Subject	Author	Type	Created
No notes to display