loading...| Preferred Name |
cisatracurium |
|
| Synonyms |
(1R,2R,1'R,2'R)-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] (1R-cis,1'R-cis)-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] (1R-cis,1'R-cis)-atracurium (1R,2R,1'R,2'R)-atracurium |
|
| Definitions |
A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_140621 |
|
| charge |
+2 |
|
| database_cross_reference |
PMID:28770545 PMID:28351905 Patent:WO2013189800 Reaxys:8184048 PMID:29368335 PMID:27703625 CAS:96946-41-7 PMID:28239805 PMID:29324189 PMID:29635320 PMID:29517695 DrugBank:DB00565 PMID:28367286 |
|
| formula |
C53H72N2O12 |
|
| has role | ||
| has_exact_synonym |
(1R,2R,1'R,2'R)-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] |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(1R-cis,1'R-cis)-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] (1R-cis,1'R-cis)-atracurium (1R,2R,1'R,2'R)-atracurium |
|
| has_RxCUI |
319864 |
|
| id |
CHEBI:140621 |
|
| in_subset | ||
| 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/t42-,43-,54-,55-/m1/s1 |
|
| inchikey |
YXSLJKQTIDHPOT-LJCJQEJUSA-N |
|
| label |
cisatracurium Cisatracurium |
|
| mass |
929.147 |
|
| monoisotopicmass |
928.50743 |
|
| notation |
CHEBI:140621 |
|
| prefixIRI |
CHEBI:140621 |
|
| prefLabel |
cisatracurium |
|
| smiles |
C=12[C@H]([N@+](CCC1C=C(OC)C(=C2)OC)(CCC(OCCCCCOC(CC[N@@+]3([C@@H](C4=C(C=C(OC)C(=C4)OC)CC3)CC5=CC(=C(OC)C=C5)OC)C)=O)=O)C)CC6=CC(=C(OC)C=C6)OC |
|
| textual definition |
A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate. |
|
| subClassOf |