Vecuronium bromide

The molecular structure of Vecuronium bromide (CAS NO.50700-72-6):

IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-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-17-yl] acetate bromide 
Molecular Weight: 637.73138 g/mol
Molecular Formula: C₃₄H₅₇BrN₂O₄ 
Melting Point: 227-229 °C
H-Bond Acceptor: 6
Rotatable Bond Count: 6
Exact Mass: 636.350171
MonoIsotopic Mass: 636.350171
Topological Polar Surface Area: 55.8
Heavy Atom Count: 41
Canonical SMILES: CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6))C.[Br-]
Isomeric SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CCC@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]
InChI: InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKey: VEPSYABRBFXYIB-PWXDFCLTSA-M
EINECS: 256-723-9
Product Categories: Pharmaceutical material and intermeidates; Organics; Neuromuscular blocking agent; Steroids; Acetylcholine receptor

 Vecuronium bromide (CAS NO.50700-72-6) is a muscle relaxant in the category of non-depolarizing blocking agents. It operates by competing for the cholinergic receptors at the motor end plate thereby exerting its muscle relaxing properties which are used adjunctively to general anesthesia.

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
Poison by ingestion, subcutaneous, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x and Br⁻.

 Vecuronium bromide (CAS NO.50700-72-6) is also named as 1-(3alpha,17beta-Dihydroxy-2beta-piperidino-5alpha-androstan-16beta,5alpha-yl)-1-methylpiperidinium bromide, diacetate ; 5alpha-Androstan-3alpha,17beta-diol, 16beta-pipecolinio-2beta-piperidino-,bromide,diacetate ; Bromure de vecuronium ; Bromure de vecuronium [INN-French] ; Bromuro de vecuronio ; Bromuro de vecuronio [INN-Spanish] ; NC-45 ; Norcuron ; ORG NC 45 ; Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-, bromide ; UNII-7E4PHP5N1D ; Vecuronii bromidum ; Vecuronii bromidum [INN-Latin] ; Vecuronium .