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114-49-8

Name Scopolamine hydrobromide
CAS 114-49-8
EINECS(EC#) 204-050-6
Molecular Formula C17H22BrNO4
MDL Number MFCD00012647
Molecular Weight 384.26
MOL File 114-49-8.mol

Chemical Properties

Appearance Off-White Solid
Melting point  195-199 °C (dry matter)(lit.)
alpha  D25 -24 to -26° (c = 5, calculated on anhydrous basis)
storage temp.  Store at RT
solubility  H2O: 50 mg/mL
form  powder
color  white to off-white
Usage An acetylcholine antagonist. Used in treatment of motion sickness; antiemetic; antispasmodic; mydriatic; preanesthetic medicant
InChI InChI=1/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/s3
InChIKey WTGQALLALWYDJH-MLRWSLNSNA-N
SMILES [C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1.Br |&1:0,3,5,9,12,16,r|
CAS DataBase Reference 114-49-8(CAS DataBase Reference)
EPA Substance Registry System 114-49-8(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S36:Wear suitable protective clothing .
RIDADR  UN 1544 6.1/PG 1
WGK Germany  3
RTECS  YM4550000
3-8
HS Code  2939800000
Toxicity
LD50 in rats (mg/kg): 3800 s.c. (Stockhaus, Wick)

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