Cisatracurium

Base Information

• Chemical Name: Cisatracurium
• CAS No.: 96946-41-7
• Deprecated CAS: 226090-63-7,1055202-34-0
• Molecular Formula: C53H72 N2 O12
• Molecular Weight: 929.1439
• UNII: SKE79AOA7L,QX62KLI41N
• DSSTox Substance ID: DTXSID60873212
• Nikkaji Number: J690.205G
• Wikidata: Q81978749
• NCI Thesaurus Code: C77365
• RXCUI: 319864
• Pharos Ligand ID: 39KXULWX2YKX
• Metabolomics Workbench ID: 145303
• ChEMBL ID: CHEMBL1201248
• Mol file: 96946-41-7.mol

Synonyms:51W89;cisatracurium;cisatracurium besilate;cisatracurium besylate;Nimbex

Chemical Property of Cisatracurium

Chemical Property:

• PSA: 126.44000
• LogP: 7.98310
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 26
• Exact Mass: 928.50852574
• Heavy Atom Count: 67
• Complexity: 1390

Purity/Quality:

≥99% ^*data from raw suppliers

(1R,1'R,2R,2'R)-2,2'-[(3-METHYL-1,5-PENTANEDIYL)BIS[OXY(3-OXO-3,1-PROPANEDIYL)]]-BIS-[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-ISOQUINOLINIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
• Isomeric SMILES: C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
• Recent ClinicalTrials: Median Effective Dose of Cisatracurium for the Prevention of Fasciculation Caused by the Injection of Succinylcholine
• Recent EU Clinical Trials: Intérêt de la curarisation lors de la chirurgie laparoscopique et recherche de facteurs associés à une compliance abdominale diminuée.