loading...| 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 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2914 |
|
| AHFScode |
12:20.00 |
|
| altId |
CHEBI:340391 CHEBI:406485 |
|
| ATCCode |
M03AC04 M03AC11 |
|
| CASRN |
64228-79-1 |
|
| DBname |
atracurium |
|
| 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 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 |
|
| has pharmacological target | ||
| has role | ||
| 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 |
|
| InChIKey |
InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N |
|
| inhibits | ||
| label |
atracurium |
|
| 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 |
|
| prefixIRI |
obo2:CHEBI_2914 |
|
| prefLabel |
atracurium |
|
| 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 |
|
| 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 |
|
| subClassOf |