CAS Number132-17-2
Synonyms3a-(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
Molecular FormulaC22H29NO4S
Molecular Weight284.25 (free base basis)
Purity≥98 (HPLC)%
Boiling Point547.8ºC at 760 mmHg
Melting Point135 °C(lit.)
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 132-17-2 |
| Catalog No. | 2A-9020680 |
| Chinese Name | 苯扎托品 |
| 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 |
| Molecular Formula | C22H29NO4S |
| Molecular Weight | 284.25 (free base basis) |
| Purity | ≥98 (HPLC) |
| Boiling Point | 547.8ºC at 760 mmHg |
| Melting Point | 135 °C(lit.) |
| Appearance | solid |
| Storage Condition | 2-8°C |
| Application | Benzotropine is an antimuscarinic compound that can assist in the treatment of Parkinson's disease. |
| HTC | 2933990090 |
| MDL Number | MFCD00074784 |
| SMILES | [S](=O)(=O)(O)C.N1([C@@H]2CC[C@@H]1CC(C2)OC(c4ccccc4)c3ccccc3)C |
| InChI | 1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1 |
| InChI Key | CPFJLLXFNPCTDW-STYNFMPRSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | Transport |
| MSDS | msds/20680_1_132_17_2.pdf |
| Bioactivity | 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 >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research 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 |
| Use of | 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]. Properties Name benzatropine mesylate Synonym More Synonyms Benztropine Mesylate Biological Activity 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 >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research 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. Chemical & Physical Properties Molecular Formula C22H29NO4S Exact Mass 403.181732 PSA 75.22000 LogP 4.94050 InChIKey CPFJLLXFNPCTDW-IIPFOPBBSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 United Nations number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Endo-3-(diphenylmethoxy)-8-methyl-8- azoniabicyclo[3.2.1]octane methanesulphonate) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Endo-3-(diphenylmethoxy)-8-methyl-8- azoniabicyclo[3.2.1]octane methanesulphonate) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Endo-3-(diphenylmethoxy)-8-methyl-8- azoniabicyclo[3.2.1]octane methanesulphonate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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