Cisatracurium besylateProduct ingredient for Cisatracurium
- Name
- Cisatracurium besylate
- Drug Entry
- Cisatracurium
Cisatracurium is a nondepolarizing skeletal muscle relaxant for intravenous administration. Cisatracurium acts on cholinergic receptors, blocking neuromuscular transmission. This action is antagonized by acetylcholinesterase inhibitors such as neostigmine. The neuromuscular block produced by cisatracurium besylate is readily antagonized by anticholinesterase agents once recovery has started. As with other nondepolarizing neuromuscular blocking agents, the more profound the neuromuscular block at the time of reversal, the longer the time required for recovery of neuromuscular function. Compared to other neuromuscular blocking agents, it is intermediate in its onset and duration of action.
- Accession Number
- DBSALT002671 (DB13450)
- Structure
Structure for Cisatracurium besylate (DBSALT002671)
- Synonyms
- Cisatracurium besilate / Cisatracurium dibenzenesulfonate
- External IDs
- 51-W-89 / 51-W89 / 51W-89 / 51W89
- UNII
- 80YS8O1MBS
- CAS Number
- 96946-42-8
- Weight
- Average: 1243.479
Monoisotopic: 1242.50040521 - Chemical Formula
- C65H82N2O18S2
- InChI Key
- XXZSQOVSEBAPGS-DONVQRBFSA-L
- 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/t42-,43-,54-,55-;;/m1../s1
- 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 dibenzenesulfonate
- SMILES
- [O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.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
- External Links
- Human Metabolome Database
- HMDB0014705
- KEGG Drug
- D00759
- PubChem Compound
- 62887
- PubChem Substance
- 347829301
- ChemSpider
- 56614
- ChEBI
- 3721
- ChEMBL
- CHEMBL1200641
- PharmGKB
- PA164744925
- Wikipedia
- Cisatracurium
- Predicted Properties
Property Value Source Water Solubility 4.17e-05 mg/mL ALOGPS logP 3.34 ALOGPS logP -0.96 ChemAxon logS -7.5 ALOGPS pKa (Strongest Acidic) 19.02 ChemAxon pKa (Strongest Basic) -4.1 ChemAxon Physiological Charge 2 ChemAxon Hydrogen Acceptor Count 10 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 126.44 Å2 ChemAxon Rotatable Bond Count 28 ChemAxon Refractivity 280.68 m3·mol-1 ChemAxon Polarizability 105.56 Å3 ChemAxon Number of Rings 8 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon