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Chemical structure of Vecuronium Bromide

GC11210

Vecuronium Bromide

Also known as [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide

Vecuronium Bromide is a non-depolarizing neuromuscular blocking agent that specifically acts on the muscle-type acetylcholine receptors, with an IC50 of 1-2nM

ChemicalCAS50700-72-6MW637.73FormulaC34H57N2O4·Br
CAS number
50700-72-6
Molecular weight
637.73
Formula
C34H57N2O4·Br
Solubility
≥ 31·8865mg/mL in DMSO, ≥ 98·6 mg/mL in EtOH with ultrasonic
InChIKey
VEPSYABRBFXYIB-PWXDFCLTSA-M
Catalogue number
GC11210
Brand
GLPBIO
Computed properties PubChem CID 39764 · TPSA 55.8 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
55.8 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
41

SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]

Computed descriptors from PubChem (CID 39764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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