Basic Information | Post buying leads | Suppliers |
Name |
Vecuronium bromide |
EINECS | 256-723-9 |
CAS No. | 50700-72-6 | Density | == |
PSA | 55.84000 | LogP | 2.86660 |
Solubility | N/A | Melting Point |
227-229 °C |
Formula | C34H57BrN2O4 | Boiling Point | N/A |
Molecular Weight | 637.742 | Flash Point | N/A |
Transport Information | N/A | Appearance | white powder |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
[(3S,5S,8R,9S,10S,13S,14S)-17-acetyloxy-10,13-dimethyl-16-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide;[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide;Piperidinium,1-[(2a,3R,5R,16a,17a)-3,17-bis- (acetyloxy)-2-(1-piperidinyl)androstan-16- yl]-1-methyl-,bromide;Vecuronium bromide (JAN/USAN);Vecoronium Bromide;Org-NC 45;Norcuron;Norcuron (TN);Vecuronium;16β-PIPECOLINIO-2β-PIPERIDINO-5α-ANDROSTAN-3α,17β-DIOL BROMIDE DIACETATE;ORG NC 45;VercuroniumBromide;Vecuronium Bromide CAS 50700-72-6;VECURONIUM BROMIDE,99%;Vecuromium bromide;Vencuronium;? 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.
1. | orl-rat LD50:455 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
2. | ipr-rat LD50:2630 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
3. | scu-rat LD50:1730 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
4. | ivn-rat LD50:200 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
5. | orl-mus LD50:41 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
6. | ipr-mus LD50:144 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
7. | scu-mus LD50:148 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. | ||
8. | ivn-mus LD50:51 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),807. |
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 NOx 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 .