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Chemical structure of Atracurium Besylate

GC15667

Atracurium Besylate

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

Neuromuscular blocking agent

ChemicalCAS64228-81-5MW1243.48FormulaC53H72N2O12·2(C6H5O3S)
CAS number
64228-81-5
Molecular weight
1243.48
Formula
C53H72N2O12·2(C6H5O3S)
Solubility
≥ 62·174mg/mL in DMSO
InChIKey
XXZSQOVSEBAPGS-UHFFFAOYSA-L
Catalogue number
GC15667
Brand
GLPBIO
Computed properties PubChem CID 47320 · 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=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.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed descriptors from PubChem (CID 47320), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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