ChemicalBook--->CAS DataBase List--->114-49-8

114-49-8

114-49-8 Structure

114-49-8 Structure
IdentificationMore
[Name]

Scopolamine hydrobromide
[CAS]

114-49-8
[Synonyms]

(A,S)-ALPHA-(HYDROXYMETHYL)BENZENEACETIC ACID (1A,2B,4B,5A,7B)-9-METHYL-3-OXA-9-AZATRICYCLO[3.3.1.02,4]NON-7-YL ESTER HYDROBROMIDE
ATROSCINE HYDROBROMIDE
HYOSCINE
HYOSCINE HBR
HYOSCINE HYDROBROMIDE
SCOPINE TROPATE HYDROBROMIDE
SCOPOLAMINE HBR
(-)-SCOPOLAMINE HYDROBROMIDE
SCOPOLAMINE HYDROBROMIDE
SCOPOLOAMINE HYDROBROMIDE
(-)-scopolaminebromide
),hydrobromide
.alpha.-(hydroxymethyl)-,9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-ylester,hydrobromide,[7(Benzeneaceticacid
02,4]non-7-ylester,hydrobromide,[7(s)-(1alpha,2beta,4beta,5alpha,7beta)
5-alpha-h-tropan-3-alpha-ol,6-beta,7-beta-epoxy-1-alpha-(-)-tropate(ester
alpha-(hydroxymethyl)-benzeneaceticaci9-methyl-3-oxa-9-azatricyclo[3.3.1.
beldavrin
euscopol
hydroscinehydrobromide
hyocinefhydrobromide
[EINECS(EC#)]

204-050-6
[Molecular Formula]

C17H22BrNO4
[MDL Number]

MFCD00012647
[Molecular Weight]

384.26
[MOL File]

114-49-8.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
[F ]

3-8
[HS Code ]

2939800000
[Toxicity]

LD50 in rats (mg/kg): 3800 s.c. (Stockhaus, Wick)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nisin-->COREOPSISYELLOWEXTRACT
[Preparation Products]

Scopine-->N-Ethylnorhyoscine Hydrochloride
Hazard InformationBack Directory
[General Description]

Colorless crystals or white powder or solid. Has no odor. pH (of 5% solution): 4-5.5. Slightly efflorescent in dry air. Bitter, acrid taste.
[Reactivity Profile]

SCOPOLAMINE HYDROBROMIDE(114-49-8) is incompatible with acids, bases and oxidizing agents. .
[Air & Water Reactions]

Sensitive to air, light and moisture. Water soluble.
[Fire Hazard]

Flash point data for this chemical are not available; however, SCOPOLAMINE HYDROBROMIDE is probably combustible.
[Description]

Scopolamine is a tropane alkaloid that can be found in many plants of the Solanaceae (nightshade) family. It is a muscarinic receptor antagonist that can be used to induce memory impairment in animals. Scopolamine prevents motion sickness, nausea, and vomiting in animals.
[Chemical Properties]

Off-White Solid
[Uses]

An acetylcholine antagonist. Used in treatment of motion sickness; antiemetic; antispasmodic; mydriatic; preanesthetic medicant
[Definition]

ChEBI: A hydrobromide that is obtained by reaction of scopolamine with hydrogen bromide.
[Brand name]

Isopto Hyoscine (Alcon); Transderm-Scop (Ciba-Geigy).
[Biological Activity]

Non-selective muscarinic antagonist. Widely used clinically to treat motion sickness.
[Clinical Use]

A sufficiently large dose of scopolamine will cause an individualto sink into a restful, dreamless sleep for about8 hours, followed by a period of approximately the samelength in which the patient is in a semiconscious state.During this time, the patient does not remember events thattake place. When scopolamine is administered with morphine,this temporary amnesia is termed twilight sleep.
[Drug interactions]

Potentially hazardous interactions with other drugs
None known
[Metabolism]

Hyoscine hydrobromide is almost entirely metabolised, probably in the liver; only a small proportion of an oral dose is excreted unchanged in the urine. In one study in man, 3.4% of a single dose, administered by subcutaneous injection was excreted unchanged in urine within 72 hours.
[storage]

Store at RT
[Purification Methods]

The hydrobromide is recrystallised from Me2CO, H2O or EtOH/Et2O and dried. It is soluble in H2O (60%) and EtOH (5%) but insoluble in Et2O and slightly in CHCl3. The hydrochloride has m 300o (from Me2CO). The free base is a viscous liquid which forms a crystalline hydrate with m 59o and [] D 20 -28o (c 2.7, H2O). It hydrolyses in dilute acid or base. [Meinwald J Chem Soc 712 1953, Fodor Tetrahedron 1 86 1957, Beilstein 6 III 4185.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Scopolamine hydrobromide(114-49-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Scopolamine hydrobromide(114-49-8)MS
Scopolamine hydrobromide(114-49-8)1HNMR
Scopolamine hydrobromide(114-49-8)13CNMR
Scopolamine hydrobromide(114-49-8)IR1
Scopolamine hydrobromide(114-49-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

114-49-8(sigmaaldrich)
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