Tiotropium Bromide Monohydrate CAS#: 411207-31-3

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Bromide Monohydrate
分子结构
CAS编号 411207-31-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,2R,4S,5S,7s)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide hydrate
分子式 C19H22NO4S2 : Br : H2O
分子量 392.5 : 79.9 : 18.0
InChI
InChI Key
Canonical SMILES OC(C1=CC=CS1)(C(O[C@@]2(C[C@]([N+](C)3C)([H])[C@@]([H])(O4)[C@]4([H])[C@]3([H])C2)[H])=O)C5=CC=CS5.[Br-].[XH2O]

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 136310-93-5 (bromide salt) ; 186691-13-4 (free base) ; 139404-48-1 (bromide hydrate)
Use Pattern
Tiotropium Bromide Monohydrate is chemically (1R,2R,4S,5S,7s)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide hydrate. Tiotropium Bromide Monohydrate is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Bromide Monohydrate can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Scopoline Methobromide D3 CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Scopoline Methobromide D3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3aR,5S,6S,6aS)-6-hydroxy-4-methyl-4-(methyl-d3)hexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium bromide
分子式 C9H13D3NO2 : Br
分子量 173.2 : 79.9
InChI
InChI Key
Canonical SMILES O[C@@H]1[C@]2([H])[C@](C3)([H])[N+](C)(C([2H])([2H])[2H])[C@H]1C[C@@H]3O2.[Br-]

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Scopoline Methobromide D3 is chemically (2S,3aR,5S,6S,6aS)-6-hydroxy-4-methyl-4-(methyl-d3)hexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium bromide. It is also known as Tiotropium EP Impurity H D3. Scopoline Methobromide D3 is supplied with detailed characterization data compliant with regulatory guideline. Scopoline Methobromide D3 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium Impurity 1 CAS#: 20513-09-1

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Impurity 1
分子结构
CAS编号 20513-09-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
分子式 C8H13NO
分子量 139.2
InChI
InChI Key
Canonical SMILES CN1[C@@](C=C[C@@]1([H])C2)([H])C[C@@H]2O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 65907-08-6 (HCl salt) ; 1781245-26-8 (HBr salt) ; 1781245-27-9 (mesylate salt)
Use Pattern
Tiotropium Impurity 1 is chemically (1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol. Tiotropium Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium Hydroxy Bromide CAS#: 115049-84-8

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Hydroxy Bromide
分子结构
CAS编号 115049-84-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,2R,4R,5S)-7-hydroxy-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide
分子式 C9H16NO2 : Br
分子量 170.2 : 79.9
InChI
InChI Key
Canonical SMILES C[N+]1([C@@H](C2)[C@@H]3[C@@H]([C@H]1CC2O)O3)C.[Br-]

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 17794-64-8 (free base)
Use Pattern
Tiotropium Hydroxy Bromide is chemically (1R,2R,4R,5S)-7-hydroxy-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide. Tiotropium Hydroxy Bromide is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Hydroxy Bromide can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium D6 CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium D6
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,2R,4S,5S,7s)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-bis(methyl-d3)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium
分子式 C19H16D6NO4S2
分子量 398.5
InChI
InChI Key
Canonical SMILES OC(C1=CC=CS1)(C(O[C@@]2(C[C@]([N+](C([2H])([2H])[2H])3C([2H])([2H])[2H])([H])[C@@]([H])(O4)[C@]4([H])[C@]3([H])C2)[H])=O)C5=CC=CS5

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Tiotropium D6 is chemically (1R,2R,4S,5S,7s)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-bis(methyl-d3)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium. Tiotropium D6 is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium D6 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Scopine Hydrochloride CAS#: 85700-55-6

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Scopine Hydrochloride
分子结构
CAS编号 85700-55-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol hydrochloride
分子式 C8H13NO2 : HCl
分子量 155.2 : 36.5
InChI
InChI Key
Canonical SMILES [H][C@@]1(N2C)C[C@@]([H])(O)C[C@@]2([H])[C@]3([H])O[C@]13[H].Cl

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 498-45-3 (free base) ; 83350-03-2 (HBr salt)
Use Pattern
Scopine Hydrochloride is chemically (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol hydrochloride. Scopine Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Scopine Hydrochloride can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium Impurity M CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Impurity M
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3aS,5R,6R,6aR)-4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate
分子式 C18H19NO4S2
分子量 377.5
InChI
InChI Key
Canonical SMILES [H][C@]12[C@](O[C@H]3C2)([H])[C@H](OC(C(C4=CC=CS4)(O)C5=CC=CS5)=O)[C@@H](C3)N1C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Tiotropium Impurity M is chemically (2S,3aS,5R,6R,6aR)-4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate. Tiotropium Impurity M is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Impurity M can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium Impurity J CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Impurity J
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3s,5S,8s)-8-(chloromethyl)-3-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-8-ium chloride
分子式 C19H21ClNO3S2 : Cl
分子量 411 : 35.5
InChI
InChI Key
Canonical SMILES OC(C1=CC=CS1)(C(O[C@@]2(C[C@]([N@@+](CCl)3C)([H])C=C[C@]3([H])C2)[H])=O)C4=CC=CS4.[Cl-]

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Tiotropium Impurity J is chemically (1R,3s,5S,8s)-8-(chloromethyl)-3-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-8-ium chloride. Tiotropium Impurity J is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Impurity J can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Tiotropium Impurity N CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Tiotropium Impurity N
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2S,3aS,5R,6R,6aR)-6-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium
分子式 C19H22NO4S2
分子量 392.5
InChI
InChI Key
Canonical SMILES [H][C@]12[C@](O[C@H]3C2)([H])[C@H](OC(C(C4=CC=CS4)(O)C5=CC=CS5)=O)[C@@H](C3)[N+]1(C)C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Tiotropium Impurity N is chemically (2S,3aS,5R,6R,6aR)-6-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium. Tiotropium Impurity N is supplied with detailed characterization data compliant with regulatory guideline. Tiotropium Impurity N can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Iso Tiotropium Bromide CAS#: 136431-94-2

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Iso Tiotropium Bromide
分子结构
CAS编号 136431-94-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 7-(2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide
分子式 C19H22NO4S2 : Br
分子量 392.5 : 79.9
InChI
InChI Key
Canonical SMILES OC(C1=CSC=C1)(C2=CC=CS2)C(OC3CC([N+]4(C)C)C(O5)C5C4C3)=O.[Br-]

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 778544-20-0 (free base)
Use Pattern
Iso Tiotropium Bromide is chemically 7-(2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide. Iso Tiotropium Bromide is supplied with detailed characterization data compliant with regulatory guideline. Iso Tiotropium Bromide can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tiotropium. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.