CAS 132-17-2|Benztropine Mesylate

Introduction：Basic information about CAS 132-17-2|Benztropine Mesylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Benztropine Mesylate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles1
8. Synonyms

Common Name	Benztropine Mesylate
CAS Number	132-17-2	Molecular Weight	403.535
Density	/	Boiling Point	547.8ºC at 760 mmHg
Molecular Formula	C₂₂H₂₉NO₄S	Melting Point	135 °C(lit.)
MSDS	ChineseUSA	Flash Point	285.1ºC
Symbol	GHS06	Signal Word	Danger

Names

Name	benzatropine mesylate
Synonym	More Synonyms

Benztropine Mesylate BiologicalActivity

Description	Benzotropine is a centrally-acting, antimuscarinic agent used as an adjunct in the treatment of Parkinson's disease.Target: mAChRBenzotropine is a centrally-acting, antimuscarinic agent used as an adjunct in the treatment of Parkinson's disease. It may also be used to treat extrapyramidal reactions, such as dystonia and Parkinsonism, caused by antipsychotics. Symptoms of Parkinson's disease and extrapyramidal reactions arise from decreases in dopaminergic activity which creates an imbalance between dopaminergic and cholinergic activity. Anticholinergic therapy is thought to aid in restoring this balance leading to relief of symptoms. In addition to its anticholinergic effects, benztropine also inhibits the reuptake of dopamine at nerve terminals via the dopamine transporter. Benzotropine also produces antagonistic effects at the histamine H1 receptor [1, 2].Benztropine (BZT) and its analogues inhibit dopamine uptake and bind with moderate to high affinity to the dopamine transporter (DAT). BZT analogues also exhibit varied binding affinities for muscarinic M(1) and histamine H(1) receptors. The BZT analogues showed a wide range of histamine H(1) receptor (K(i)=16-37,600 nM) and DAT (K(i)=8.5-6370 nM) binding affinities [3].
Related Catalog	Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease
References	[1]. Wszola, B.A., K.M. Newell, and R.L. Sprague, Risk factors for tardive dyskinesia in a large population of youths and adults. Exp Clin Psychopharmacol, 2001. 9(3): p. 285-96. [2]. van Harten, P.N., et al., Intermittent neuroleptic treatment and risk for tardive dyskinesia: Curacao Extrapyramidal Syndromes Study III. Am J Psychiatry, 1998. 155(4): p. 565-7. [3]. Kulkarni, S.S., et al., Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem, 2006. 14(11): p. 3625-34.

Description

Benzotropine is a centrally-acting, antimuscarinic agent used as an adjunct in the treatment of Parkinson's disease.Target: mAChRBenzotropine is a centrally-acting, antimuscarinic agent used as an adjunct in the treatment of Parkinson's disease. It may also be used to treat extrapyramidal reactions, such as dystonia and Parkinsonism, caused by antipsychotics. Symptoms of Parkinson's disease and extrapyramidal reactions arise from decreases in dopaminergic activity which creates an imbalance between dopaminergic and cholinergic activity. Anticholinergic therapy is thought to aid in restoring this balance leading to relief of symptoms. In addition to its anticholinergic effects, benztropine also inhibits the reuptake of dopamine at nerve terminals via the dopamine transporter. Benzotropine also produces antagonistic effects at the histamine H1 receptor [1, 2].Benztropine (BZT) and its analogues inhibit dopamine uptake and bind with moderate to high affinity to the dopamine transporter (DAT). BZT analogues also exhibit varied binding affinities for muscarinic M(1) and histamine H(1) receptors. The BZT analogues showed a wide range of histamine H(1) receptor (K(i)=16-37,600 nM) and DAT (K(i)=8.5-6370 nM) binding affinities [3].

Related Catalog

Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease

References

[1]. Wszola, B.A., K.M. Newell, and R.L. Sprague, Risk factors for tardive dyskinesia in a large population of youths and adults. Exp Clin Psychopharmacol, 2001. 9(3): p. 285-96.

[2]. van Harten, P.N., et al., Intermittent neuroleptic treatment and risk for tardive dyskinesia: Curacao Extrapyramidal Syndromes Study III. Am J Psychiatry, 1998. 155(4): p. 565-7.

[3]. Kulkarni, S.S., et al., Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem, 2006. 14(11): p. 3625-34.

Chemical & Physical Properties

Boiling Point	547.8ºC at 760 mmHg
Melting Point	135 °C(lit.)
Molecular Formula	C₂₂H₂₉NO₄S
Molecular Weight	403.535
Flash Point	285.1ºC
Exact Mass	403.181732
PSA	75.22000
LogP	4.94050
Vapour Pressure	7.83E-13mmHg at 25°C
InChIKey	CPFJLLXFNPCTDW-IIPFOPBBSA-N
SMILES	CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YM3150000

CHEMICAL NAME :: 1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-, methanesulfonate

CAS REGISTRY NUMBER :: 132-17-2

LAST UPDATED :: 199504

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C21-H25-N-O.C-H4-O3-S

MOLECULAR WEIGHT :: 403.58

WISWESSER LINE NOTATION :: T56 A ANTJ A1 GOYR&R &OSW1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Behavioral - toxic psychosis

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 940 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 :: 353 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 :: 91 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 - mouse

DOSE/DURATION :: 103 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 :: 24 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 :: 33 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 - guinea pig

DOSE/DURATION :: 80 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - parasympatholytic

MUTATION DATA

TYPE OF TEST :: DNA adduct

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 10 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,95,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5595 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1071 (estimated) No. of Female Employees: 681 (estimated)

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301 + H311 + H331
Precautionary Statements	Missing Phrase - N15.00950417-P261-P280-P302 + P352 + P312-P304 + P340 + P312-P403 + P233
Hazard Codes	T: Toxic;
Risk Phrases	R23/24/25
Safety Phrases	S36/37/39-S45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	YM3150000
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles1

A screen of approved drugs and molecular probes identifies therapeutics with anti-Ebola virus activity.

Sci. Transl. Med. 7 , 290ra89, (2015)

Currently, no approved therapeutics exist to treat or prevent infections induced by Ebola viruses, and recent events have demonstrated an urgent need for rapid discovery of new treatments. Repurposing...

Synonyms

3a-(Diphenylmethoxy)-1aH,5aH-tropane Methanesulfonate

(3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate

3-(Benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate

MFCD00074784

Benztropine methanesulfonate

Benzotropine Mesylate

EINECS 205-048-8

Cobrentin methanesulfonate

BENZTROPINE MESYLATE

Methansulfonsäure--(3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octan(1:1)

8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo), methanesulfonate (1:1)

Tropine benzohydryl ether methanesulfonate

endo-3-(Diphenylmethoxy)-8-methyl-8-azoniabicyclo(3.2.1)octane methanesulphonate

(3-endo)-3-(Diphenylmethoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane methanesulfonate

Cogentin

8-Azabicyclo[3.2.1]octane (3-(diphenylmethoxy)-8-methyl

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