loading...| Preferred Name |
atracurium besylate |
|
| 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] bisbenzenesulfonate besilato de atracurio besilate d'atracurium atracurii besilas atracurium besilate |
|
| Definitions |
The bisbenzenesulfonate salt of atracurium. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2915 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US4179507 KEGG:D00758 DrugBank:DB00732 CAS:64228-81-5 Patent:DE2655883 Beilstein:3535417 |
|
| definition |
The bisbenzenesulfonate salt of atracurium. |
|
| formula |
C53H72N2O12.(C6H5O3S)2 C65H82N2O18S2 |
|
| has part | ||
| has role | ||
| has_exact_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] bisbenzenesulfonate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
besilato de atracurio besilate d'atracurium atracurii besilas atracurium besilate |
|
| id |
CHEBI:2915 |
|
| in_subset | ||
| inchi |
InChI=1S/C53H72N2O12.2C6H6O3S/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;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2 |
|
| inchikey |
XXZSQOVSEBAPGS-UHFFFAOYSA-L |
|
| label |
atracurium besylate |
|
| mass |
1243.47900 |
|
| monoisotopicmass |
1242.50041 |
|
| notation |
CHEBI:2915 |
|
| prefLabel |
atracurium besylate |
|
| smiles |
[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c1ccccc1.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 |
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| treeView | ||
| subClassOf |