Cisatracurium (CHEM128233)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-13 20:33:25 UTC | ||||||||
| Update Date | 2026-05-14 16:42:24 UTC | ||||||||
| Accession Number | CHEM128233 | ||||||||
| Identification | |||||||||
| Common Name | Cisatracurium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Cisatracurium is an organic compound with the chemical formula C53H72N2O12. Cisatracurium belongs to the benzylisoquinolines, a subclass of isoquinolines and derivatives within the organic compounds. With an average molecular weight of 929.16 g/mol, Cisatracurium is a heavy molecule. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as a muscle relaxant. The recorded route of exposure for this substance is intravenous. In terms of its biological activity, Cisatracurium interacts with 13 recorded protein targets. It functions as an antagonist of the neuronal acetylcholine receptor subunit alpha-3 (CHRNA3), neuronal acetylcholine receptor subunit alpha-5 (CHRNA5), neuronal acetylcholine receptor subunit beta-2 (CHRNB2), and neuronal acetylcholine receptor subunit beta-4 (CHRNB4), as well as 9 other proteins. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C53H72N2O12 | ||||||||
| Average Molecular Mass | 929.160 g/mol | ||||||||
| Monoisotopic Mass | 928.507 g/mol | ||||||||
| CAS Registry Number | 96946-41-7 | ||||||||
| IUPAC Name | (1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-2-(3-{[5-({3-[(1R,2R)-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 | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 | ||||||||
| InChI Identifier | 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 | ||||||||
| InChI Key | YXSLJKQTIDHPOT-LJCJQEJUSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
