Scopolamine hydrobromide trihydrate

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Names

[ Name ]:
Scopolamine hydrobromide trihydrate

[Synonym ]:
EINECS 204-050-6
Scopolamine hydrobromide
Benzeneacetic acid, α-(hydroxymethyl)-, (1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl ester, (αS)-, hydrobromide, hydrate (1:1:3)
(1S,2R,4S,5S,7R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate
MFCD00150066
Scopolamine hydrobromide trihydrate
Hyoscine hydrobromide trihydrate

Chemical & Physical Properties

[ Density]:
1.31 g/cm3

[ Boiling Point ]:
460.3ºC at 760 mmHg

[ Melting Point ]:
197-194 °C

[ Molecular Formula ]:
C₁₇H₂₈BrNO₇

[ Molecular Weight ]:
438.311

[ Flash Point ]:
232.2ºC

[ Exact Mass ]:
437.104919

[ PSA ]:
89.99000

[ LogP ]:
1.62120

[ Index of Refraction ]:
-25.5 ° (C=5, H2O)

[ Storage condition ]:
Poison room

[ Stability ]:
Stable, but air and light sensitive. Incompatible with acids, bases, strong oxidizing agents. Slightly hygroscopic.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YM4730000

CHEMICAL NAME :: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide, trihydrate

CAS REGISTRY NUMBER :: 6533-68-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C17-H21-N-O4.Br-H.3H2-O

MOLECULAR WEIGHT :: 438.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1413 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4800 mg/kg/16D-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1470 mg/kg/14W-I

TOXIC EFFECTS :: Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 28800 mg/kg/16D-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1470 mg/kg/14W-I

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :: Micronucleus test

TEST SYSTEM :: Rodent - hamster Embryo

DOSE/DURATION :: 3500 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 392,61,1997

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300-H310-H330

[ Precautionary Statements ]:
P260-P264-P280-P284-P301 + P310-P302 + P350

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+: Very toxic;

[ Risk Phrases ]:
R26/27/28

[ Safety Phrases ]:
S45-S25-S1

[ RIDADR ]:
UN1544 6.1/PG 3

[ RTECS ]:
YM4550000

[ Hazard Class ]:
6.1

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