Chlorpromazine hydrochloride
Numéro de catalogue B195715
:
69-09-0
Poids moléculaire: 355.3 g/mol
Clé InChI: FBSMERQALIEGJT-UHFFFAOYSA-N
Attention: Uniquement pour un usage de recherche. Non destiné à un usage humain ou vétérinaire.
Patent
US04539199
Procedure details
100 g of chloropromazine hydrochloride [10-(3'-methylamino-propyl)-2-chloro-phenothiazine hydrochloride] (USP XX) is dissolved in 1 liter of deionized water and added at constant stirring to a solution of (NH4+)-polymethacrylate of the following composition:
[Compound]
Name
(NH4+)-polymethacrylate
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][N:2]([CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[CH:17]=[C:18]([Cl:21])[CH:19]=[CH:20][C:15]=2[S:14][C:13]2[C:8]1=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH3:3].Cl>O>[CH3:1][N:2]([CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[CH:17]=[C:18]([Cl:21])[CH:19]=[CH:20][C:15]=2[S:14][C:13]2[C:8]1=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH3:3] |f:0.1|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
100 g
|
|
Type
|
reactant
|
|
Smiles
|
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
|
|
Name
|
|
|
Quantity
|
1 L
|
|
Type
|
solvent
|
|
Smiles
|
O
|
Step Two
[Compound]
|
Name
|
(NH4+)-polymethacrylate
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
ADDITION
|
Type
|
ADDITION
|
|
Details
|
added
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
|
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
US04539199
Procedure details
100 g of chloropromazine hydrochloride [10-(3'-methylamino-propyl)-2-chloro-phenothiazine hydrochloride] (USP XX) is dissolved in 1 liter of deionized water and added at constant stirring to a solution of (NH4+)-polymethacrylate of the following composition:
[Compound]
Name
(NH4+)-polymethacrylate
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
Identifiers
|
REACTION_CXSMILES
|
[CH3:1][N:2]([CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[CH:17]=[C:18]([Cl:21])[CH:19]=[CH:20][C:15]=2[S:14][C:13]2[C:8]1=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH3:3].Cl>O>[CH3:1][N:2]([CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[CH:17]=[C:18]([Cl:21])[CH:19]=[CH:20][C:15]=2[S:14][C:13]2[C:8]1=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH3:3] |f:0.1|
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
100 g
|
|
Type
|
reactant
|
|
Smiles
|
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
|
|
Name
|
|
|
Quantity
|
1 L
|
|
Type
|
solvent
|
|
Smiles
|
O
|
Step Two
[Compound]
|
Name
|
(NH4+)-polymethacrylate
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
ADDITION
|
Type
|
ADDITION
|
|
Details
|
added
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
|
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. |
