Loperamide hydrochloride
Cat. No. B1675071
M. Wt: 513.5 g/mol
InChI Key: PGYPOBZJRVSMDS-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
Patent
US09133235B2
Procedure details
Octreotide was provided as a sterile lyophilisate and reconstituted with sterile water for injection to yield a stock solution (10 mg/mL). The stock solution was stored refrigerated (2 to 8° C.). On each day of dosing, the stock solution is diluted with sterile water for injection to a final concentration of 0.1 mg/mL. Loperamide hydrochloride was dissolved in saline for injection to yield a final concentration of loperamide base of 0.1 mg/mL (Note: 1 g of loperamide hydrochloride=0.929 g of loperamide base. A correction factor of 1.076 was used for formulation preparation). Loperamide hydrochloride solution is prepared weekly. Compound 552 was formulated as a solution with 10% hydroxypropyl-β-cyclodextrin (97%) in water. In order to verify the concentration of the test articles in the formulations, representative samples (1.0 mL in duplicate, except for octreotide, where only 0.1 mL each will be collected) were collected at appropriate intervals during the study.
Name
Identifiers
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REACTION_CXSMILES
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[CH3:1][N:2]([C:4]([C:6]([C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1)([C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)[CH2:7][CH2:8][N:9]1[CH2:14][CH2:13][C:12]([OH:22])([C:15]2[CH:16]=[CH:17][C:18]([Cl:21])=[CH:19][CH:20]=2)[CH2:11][CH2:10]1)=[O:5])[CH3:3].Cl>O>[CH3:1][N:2]([C:4]([C:6]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)([C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)[CH2:7][CH2:8][N:9]1[CH2:14][CH2:13][C:12]([OH:22])([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=2)[CH2:11][CH2:10]1)=[O:5])[CH3:3] |f:0.1|
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Inputs
Step One
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Name
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|
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Quantity
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0 (± 1) mol
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Type
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reactant
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Smiles
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CN(C)C(=O)C(CCN1CCC(CC1)(C=2C=CC(=CC2)Cl)O)(C=3C=CC=CC3)C=4C=CC=CC4.Cl
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Step Two
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Name
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Quantity
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0 (± 1) mol
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Type
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solvent
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Smiles
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O
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Step Three
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Name
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Quantity
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0 (± 1) mol
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Type
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solvent
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Smiles
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O
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Conditions
Other
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Conditions are dynamic
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1
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Details
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See reaction.notes.procedure_details.
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Workups
CUSTOM
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Type
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CUSTOM
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Details
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to yield a stock solution (10 mg/mL)
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CUSTOM
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Type
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CUSTOM
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Details
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(2 to 8° C.)
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WAIT
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Type
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WAIT
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Details
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On each day of dosing
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Outcomes
Product
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Name
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Type
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product
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Smiles
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CN(C)C(=O)C(CCN1CCC(CC1)(C=2C=CC(=CC2)Cl)O)(C=3C=CC=CC3)C=4C=CC=CC4
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Source
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Source
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Open Reaction Database (ORD) |
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Description
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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. |
