Scopolamine hydrobromide

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Names

[ CAS No. ]:
114-49-8

[ Name ]:
Scopolamine hydrobromide

[Synonym ]:
a-(Hydroxymethyl)benzeneacetic Acid (aS)-(1a,2b,4b,5a,7b)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester Hydrobromide
Beldavrin
Hyosol
Kwells
HYOSCINE
Euscopol
(-)-Scopolamine bromide
TRIPTONE
hyoscine hydrobromide
Atroscine hydrobromide
Isoscopil
SCOPOLAMINE BROMIDE
Hysco
Scopolammonium bromide
Scopolamine Hydrobromide Trihydrate
Scopolamine hydrobromide
6b,7b-Epoxy-1aH,5aH-Tropan-3a-ol (-)-Tropate (Ester) Hydrobromide
Tranaxine
(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide (1:1)
sereen
scopamin
Scopolamine hydrobromide anhydrous
MFCD00012647
EINECS 204-050-6
(-)-Scopolamine hydrobromide
Benzeneacetic acid, α-(hydroxymethyl)-, (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl ester, (αS)-, hydrobromide (1:1)
Scopinetropate
Scopolamine HBr
l-Scopolamine Hydrobromide
Scopos
Hyoscine bromide
Scopolamine Hydrobromide (anhydrous)

Chemical & Physical Properties

[ Boiling Point ]:
460.3ºC at 760 mmHg

[ Melting Point ]:
195-199 °C (dry matter)(lit.)

[ Molecular Formula ]:
C17H22BrNO4

[ Molecular Weight ]:
384.265

[ Exact Mass ]:
383.073212

[ PSA ]:
62.30000

[ LogP ]:
1.81410

[ Vapour Pressure ]:
2.51E-10mmHg at 25°C

[ Water Solubility ]:
H2O: 50 mg/mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM4550000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide
CAS REGISTRY NUMBER :
114-49-8
LAST UPDATED :
199701
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C17-H21-N-O4.Br-H
MOLECULAR WEIGHT :
384.31
WISWESSER LINE NOTATION :
T C356 A AN DOTJ A1 HOVYR&1Q &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1270 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraduodenal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
670 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
203 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
850 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - parasympatholytic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
975 mg/kg/13W-I
TOXIC EFFECTS :
Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
975 mg/kg/13W-I
TOXIC EFFECTS :
Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
300 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
500 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2365 mg/kg
SEX/DURATION :
female 10-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
1 pph/5H
REFERENCE :
HUMAA7 Humangenetik. (Heidelberg, Fed. Rep. Ger.) V.1-30, 1964-75. For publisher information, see HUGEDQ. Volume(issue)/page/year: 4,371,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80511 No. of Facilities: 1011 (estimated) No. of Industries: 3 No. of Occupations: 11 No. of Employees: 7730 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80511 No. of Facilities: 462 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 19132 (estimated) No. of Female Employees: 16485 (estimated)

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36

[ RIDADR ]:
UN 1544 6.1/PG 1

[ WGK Germany ]:
3

[ RTECS ]:
YM4550000

Precursor & DownStream

Precursor

DownStream

  • Norscopolamine hydrochloride
  • Oxitropium Bromide
  • Anisodamine
  • (-)-Anisodamine
  • Hyoscyamine
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate

Related Compounds

  • Scopolamine hydrobromide
  • GENOSCOPOLAMINE HYDROBROMIDE
  • O-Acetyl Scopolamine Hydrobromide
  • (-)-scopolamine hydrobromide sesquihydrate
  • Scopolamine-d3 Hydrobromide
  • Scopolamine β-D-Glucuronide