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molecular formula C17H19ClN2S.ClH<br>C17H20Cl2N2S B195715 Chlorpromazine hydrochloride CAS No. 69-09-0

Chlorpromazine hydrochloride

Cat. No. B195715
M. Wt: 355.3 g/mol
InChI Key: FBSMERQALIEGJT-UHFFFAOYSA-N
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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:
Quantity
100 g
Type
reactant
Reaction Step One
Name
Quantity
1 L
Type
solvent
Reaction Step One
[Compound]
Name
(NH4+)-polymethacrylate
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

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
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:
Quantity
100 g
Type
reactant
Reaction Step One
Name
Quantity
1 L
Type
solvent
Reaction Step One
[Compound]
Name
(NH4+)-polymethacrylate
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

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
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.
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