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Chemical structure of Cisatracurium Besylate

GC12226

Cisatracurium Besylate

Also known as benzenesulfonate;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Neuromuscular-blocking drug

ChemicalCAS96946-42-8MW1243.48FormulaC53H72N2O12·2C6H5O3S
CAS number
96946-42-8
Molecular weight
1243.48
Formula
C53H72N2O12·2C6H5O3S
Solubility
≥ 62·174mg/mL in DMSO
InChIKey
XXZSQOVSEBAPGS-DONVQRBFSA-L
Catalogue number
GC12226
Brand
GLPBIO
Computed properties PubChem CID 62886 · TPSA 258 Ų · H-bond donors 0 · H-bond acceptors 18
TPSA
258 Ų
H-bond donors
0
H-bond acceptors
18
Rotatable bonds
26
Heavy atoms
87

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.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed descriptors from PubChem (CID 62886), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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