Bupropion D9
Cat. No. B3031121
M. Wt: 248.79 g/mol
InChI Key: SNPPWIUOZRMYNY-WVZRYRIDSA-N
Attention: For research use only. Not for human or veterinary use.
Patent
US07563823B2
Procedure details
The dissolution of bupropion HBr formulations according to the invention were assessed in three USP-3 media, i.e., SGF pH 1.2, Acetate Buffer pH 4.5 and Phosphate Buffer pH 6.8 over a period of 16 hours. These results are contained in FIG. 66. Particularly Bupropion HBr XL 348 mg tablets (final), Lot # Bup-HBr-XL-012-5; Wellbutrin XL 300 mg tablets (final), Lot # 05A116; Bupropion HBr XL 348 mg tablets ECl Lot # Bup-HBr-XL-012-5 (EC 32 mg wg) and Wellbutrin XL 300 mg tablets (EC10-Lot # 05D047 were assessed in SGF media pH 1.2 for 2 hours, Acetate Buffer pH 4.5 for 2 hours, and Phosphate Buffer SIF pH 6.8 for a total of 10 hours. The results are contained in the FIG. 66-68.
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
[Compound]
Name
Bup-HBr XL-012-5
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
[Compound]
Name
Bup-HBr XL-012-5
Quantity
32 mg
Type
reactant
Reaction Step Eight
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][CH:2]([NH:12][C:13]([CH3:16])([CH3:15])[CH3:14])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4].Br.C([O-])(=O)C.P([O-])([O-])([O-])=O.CC(NC(C)(C)C)C(C1C=CC=C(Cl)C=1)=O.Cl>>[CH3:1][CH:2]([NH:12][C:13]([CH3:14])([CH3:16])[CH3:15])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4] |f:0.1,4.5|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Br
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(=O)[O-]
|
Step Three
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
P(=O)([O-])([O-])[O-]
|
Step Four
Step Five
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Seven
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Step Eight
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
32 mg
|
|
Type
|
reactant
|
|
Smiles
|
|
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
for a total of 10 hours
|
|
Duration
|
10 h
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
Patent
US07563823B2
Procedure details
The dissolution of bupropion HBr formulations according to the invention were assessed in three USP-3 media, i.e., SGF pH 1.2, Acetate Buffer pH 4.5 and Phosphate Buffer pH 6.8 over a period of 16 hours. These results are contained in FIG. 66. Particularly Bupropion HBr XL 348 mg tablets (final), Lot # Bup-HBr-XL-012-5; Wellbutrin XL 300 mg tablets (final), Lot # 05A116; Bupropion HBr XL 348 mg tablets ECl Lot # Bup-HBr-XL-012-5 (EC 32 mg wg) and Wellbutrin XL 300 mg tablets (EC10-Lot # 05D047 were assessed in SGF media pH 1.2 for 2 hours, Acetate Buffer pH 4.5 for 2 hours, and Phosphate Buffer SIF pH 6.8 for a total of 10 hours. The results are contained in the FIG. 66-68.
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
[Compound]
Name
Bup-HBr XL-012-5
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
[Compound]
Name
Bup-HBr XL-012-5
Quantity
32 mg
Type
reactant
Reaction Step Eight
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][CH:2]([NH:12][C:13]([CH3:16])([CH3:15])[CH3:14])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4].Br.C([O-])(=O)C.P([O-])([O-])([O-])=O.CC(NC(C)(C)C)C(C1C=CC=C(Cl)C=1)=O.Cl>>[CH3:1][CH:2]([NH:12][C:13]([CH3:14])([CH3:16])[CH3:15])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4] |f:0.1,4.5|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Br
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(=O)[O-]
|
Step Three
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
P(=O)([O-])([O-])[O-]
|
Step Four
Step Five
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Seven
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Step Eight
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
32 mg
|
|
Type
|
reactant
|
|
Smiles
|
|
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
for a total of 10 hours
|
|
Duration
|
10 h
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
Patent
US07563823B2
Procedure details
The dissolution of bupropion HBr formulations according to the invention were assessed in three USP-3 media, i.e., SGF pH 1.2, Acetate Buffer pH 4.5 and Phosphate Buffer pH 6.8 over a period of 16 hours. These results are contained in FIG. 66. Particularly Bupropion HBr XL 348 mg tablets (final), Lot # Bup-HBr-XL-012-5; Wellbutrin XL 300 mg tablets (final), Lot # 05A116; Bupropion HBr XL 348 mg tablets ECl Lot # Bup-HBr-XL-012-5 (EC 32 mg wg) and Wellbutrin XL 300 mg tablets (EC10-Lot # 05D047 were assessed in SGF media pH 1.2 for 2 hours, Acetate Buffer pH 4.5 for 2 hours, and Phosphate Buffer SIF pH 6.8 for a total of 10 hours. The results are contained in the FIG. 66-68.
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Five
[Compound]
Name
Bup-HBr XL-012-5
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Six
[Compound]
Name
Bupropion HBr XL 348
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Eight
[Compound]
Name
Bup-HBr XL-012-5
Quantity
32 mg
Type
reactant
Reaction Step Eight
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][CH:2]([NH:12][C:13]([CH3:16])([CH3:15])[CH3:14])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4].Br.C([O-])(=O)C.P([O-])([O-])([O-])=O.CC(NC(C)(C)C)C(C1C=CC=C(Cl)C=1)=O.Cl>>[CH3:1][CH:2]([NH:12][C:13]([CH3:14])([CH3:16])[CH3:15])[C:3]([C:5]1[CH:6]=[CH:7][CH:8]=[C:9]([Cl:11])[CH:10]=1)=[O:4] |f:0.1,4.5|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Br
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(=O)[O-]
|
Step Three
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
P(=O)([O-])([O-])[O-]
|
Step Four
Step Five
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Six
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Seven
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Step Eight
[Compound]
|
Name
|
Bupropion HBr XL 348
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
[Compound]
|
Name
|
Bup-HBr XL-012-5
|
|
Quantity
|
32 mg
|
|
Type
|
reactant
|
|
Smiles
|
|
|
Name
|
|
|
Quantity
|
300 mg
|
|
Type
|
reactant
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C.Cl
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
for a total of 10 hours
|
|
Duration
|
10 h
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
CC(C(=O)C=1C=CC=C(C1)Cl)NC(C)(C)C
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
