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molecular formula C15H27N3O9P2 B1678103 Primaquine phosphate CAS No. 63-45-6

Primaquine phosphate

カタログ番号 B1678103
分子量: 455.34 g/mol
InChIキー: GJOHLWZHWQUKAU-UHFFFAOYSA-N
注意: 研究専用です。人間または獣医用ではありません。
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Patent
US04416872

Procedure details

Primaquine diphosphate solution was used for swelling DDPC/Ch/DCP mixture into liposomes, and the resulting liposomes were washed by centrifugation, and then suspended in a volume of saline four times of that used in swelling the vesicles. The concentration of drug was equivalent to 25 mg/kg primaquine diphosphate for 35 g mice when 0.1 ml was injected, or 376 mg/kg for 0.15 ml, or 50 mg/kg for 0.2 ml.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

Identifiers

REACTION_CXSMILES
[CH3:1][CH:2]([NH:7][C:8]1[CH:13]=[C:12]([O:14][CH3:15])[CH:11]=[C:10]2[CH:16]=[CH:17][CH:18]=[N:19][C:9]=12)[CH2:3][CH2:4][CH2:5][NH2:6].OP(O)(O)=O.OP(O)(O)=O.CCCCCCCCCCCCCC(NCC(NC(CCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O)=O>>[CH3:1][CH:2]([NH:7][C:8]1[C:9]2[N:19]=[CH:18][CH:17]=[CH:16][C:10]=2[CH:11]=[C:12]([O:14][CH3:15])[CH:13]=1)[CH2:3][CH2:4][CH2:5][NH2:6] |f:0.1.2|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

WASH
Type
WASH
Details
the resulting liposomes were washed by centrifugation

Outcomes

Product
Name
Type
Smiles
CC(CCCN)NC1=CC(=CC2=C1N=CC=C2)OC

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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