Donepezil oxalate
货号 B8375721
分子量: 469.5 g/mol
InChI 键: ZXVUKAUIAFEUEX-UHFFFAOYSA-N
注意: 仅供研究使用。不适用于人类或兽医用途。
Patent
US07186842B2
Procedure details
Donepezil oxalate is dissolved in water and basified. Donepezil base thus obtained, is extracted in a suitable solvent and acidified with aqueous hydrochloric acid. The solvent is evaporated and aqueous acidic solution of Donepezil hydrochloride is lyophilized to obtain Donepezil hydrochloride amorphous form.
Name
Identifiers
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REACTION_CXSMILES
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[CH3:1][O:2][C:3]1[CH:8]=[C:7]2[CH2:9][CH:10]([CH2:13][CH:14]3[CH2:19][CH2:18][N:17]([CH2:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[CH2:16][CH2:15]3)[C:11](=[O:12])[C:6]2=[CH:5][C:4]=1[O:27][CH3:28].C(O)(C(O)=O)=O>O>[CH3:1][O:2][C:3]1[CH:8]=[C:7]2[CH2:9][CH:10]([CH2:13][CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][C:21]4[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH2:18][CH2:19]3)[C:11](=[O:12])[C:6]2=[CH:5][C:4]=1[O:27][CH3:28] |f:0.1|
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Inputs
Step One
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Name
|
|
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Quantity
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0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.C(=O)(C(=O)O)O
|
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
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solvent
|
|
Smiles
|
O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
COC=1C=C2C(=CC1OC)C(=O)C(C2)CC3CCN(CC3)CC=4C=CC=CC4
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Source
|
Source
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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
US07186842B2
Procedure details
Donepezil oxalate is dissolved in water and basified. Donepezil base thus obtained, is extracted in a suitable solvent and acidified with aqueous hydrochloric acid. The solvent is evaporated and aqueous acidic solution of Donepezil hydrochloride is lyophilized to obtain Donepezil hydrochloride amorphous form.
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][O:2][C:3]1[CH:8]=[C:7]2[CH2:9][CH:10]([CH2:13][CH:14]3[CH2:19][CH2:18][N:17]([CH2:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[CH2:16][CH2:15]3)[C:11](=[O:12])[C:6]2=[CH:5][C:4]=1[O:27][CH3:28].C(O)(C(O)=O)=O>O>[CH3:1][O:2][C:3]1[CH:8]=[C:7]2[CH2:9][CH:10]([CH2:13][CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][C:21]4[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH2:18][CH2:19]3)[C:11](=[O:12])[C:6]2=[CH:5][C:4]=1[O:27][CH3:28] |f:0.1|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.C(=O)(C(=O)O)O
|
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
solvent
|
|
Smiles
|
O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
COC=1C=C2C(=CC1OC)C(=O)C(C2)CC3CCN(CC3)CC=4C=CC=CC4
|
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. |
