CAS 6533-68-2|Scopolamine hydrobromide trihydrate

Introduction：Basic information about CAS 6533-68-2|Scopolamine hydrobromide trihydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Articles43
6. Synonyms

Common Name	Scopolamine hydrobromide trihydrate
CAS Number	6533-68-2	Molecular Weight	438.311
Density	1.31 g/cm3	Boiling Point	460.3ºC at 760 mmHg
Molecular Formula	C₁₇H₂₈BrNO₇	Melting Point	197-194 °C
MSDS	ChineseUSA	Flash Point	232.2ºC
Symbol	GHS06	Signal Word	Danger

Names

Name	(-)-Scopolamine hydrobromide trihydrate
Synonym	More Synonyms

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)
InChIKey	LACQPOBCQQPVIT-XRPLAOKPSA-N
SMILES	Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.O.O.O
Storage condition	Poison room
Stability	Stable, but air and light sensitive. Incompatible with acids, bases, strong oxidizing agents. Slightly hygroscopic.

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

Articles43

Dry eye predisposes to corneal neovascularization and lymphangiogenesis after corneal injury in a murine model.

Cornea 33(6) , 621-7, (2014)

Dry eye disease is becoming recognized as an immune-inflammation mediated disorder. Surgical insults such as corneal incision or suture can aggravate dry eye. We sought to determine whether underlying...

Pretreatment with 5-hydroxymethyl-2-furaldehyde blocks scopolamine-induced learning deficit in contextual and spatial memory in male mice.

Pharmacol. Biochem. Behav. 134 , 57-64, (2015)

5-Hydroxymethyl-2-furaldehyde (5-HMF) is a compound derived from the dehydration of certain sugars. The aim of the present study was to evaluate the effect of 5-HMF on the cognitive impairment induced...

Deer bone extract prevents against scopolamine-induced memory impairment in mice.

J. Med. Food 18(2) , 157-65, (2015)

Deer bone has been used as a health-enhancing food as well as an antiaging agent in traditional Oriental medicine. Recently, the water extract of deer bone (DBE) showed a neuroprotective action agains...

Synonyms

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

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