Loperamide - Compound Summary (CID 3955)
One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.
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 Drug and Chemical Information: (Total:1)
Medication Information
IMODIUM (loperamide hydrochloride), 4-(p-chlorophenyl)-4-hydroxy-N,N-dimethyl-a,a-diphenyl-1-piperidinebutyramide monohydrochloride, is a synthetic antidiarrheal for oral use.IMODIUM is available in 2mg capsules.The inactive ingredients  Loperamide hydrochloride is a white to slightly yellow powder and is freely soluble in methanol, isopropyl alcohol, chloroform and slightly soluble in water.Loperamide hydrochloride, Loperamide hydrochloride, 4-(p-chlorophenyl)-4-hydroxy-N, N-dimethyl-,-diphenyl-1-piperidinebutyramide monohydrochloride, is a synthetic antidiarrheal for oral use.Loperamide hydrochloride is available in 2 mg capsules.Loperamide Antidiarrheals
- Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition. |
Pharmacological Classification Chemical ClassificationSafety and Toxicology
EINECS - European Inventory of Existing Commercial Chemical Substances | EINECS - European Inventory of Existing Commercial Chemical Substances | TOXLINE - Citations to the toxicological literature | TOXLINE - Citations to the toxicological literature | LactMed - Information on chemicals that breastfeeding mothers may be exposed | ClinicalTrials.gov - Registry of federal and private clinical trials |
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 BioAssay Results:
Tested in BioAssays: All: 98 Active: 7 Inactive: 82
BioActivity Summary: This Compound with Similar Compounds
AID: 2063 Source: GLIDA, GPCR-Ligand Database
Ligands of peptide (Class A) GPCRs
AID: 1332 Source: Southern Research Institute
High Throughput Screen to Identify Inhibitors of Mycobacterium tuberculosis H37Rv
AID: 938 Source: NCGC
qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293
AID: 902 Source: NCGC
qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature
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 Properties Computed from Structure:
| Molecular Weight | 477.03752 [g/mol] | | Molecular Formula | C29H33ClN2O2 | | XLogP3-AA | 5 | | H-Bond Donor | 1 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 7 | | Exact Mass | 476.223056 | | MonoIsotopic Mass | 476.223056 | | Topological Polar Surface Area | 43.8 | | Heavy Atom Count | 34 | | Formal Charge | 0 | | Complexity | 623 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2, 2-diphenylbutanamide
Canonical SMILES: CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,
25-11-7-4-8-12-25)19-22-32-20-17-28(34,
18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChIKey: RDOIQAHITMMDAJ-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 119 Links Same structure: 68 Links Mixture: 51 LinksCategory: [for same structure substances]
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| Compound ID | 3955 |
| | Molecular Weight | 477.03752 [g/mol] |
| | Molecular Formula | C29H33ClN2O2 |
| | XLogP3-AA | 5 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 3 |
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