Methantheline

Base Information

• Chemical Name: Methantheline
• CAS No.: 5818-17-7
• Molecular Formula: C21H26 N O3
• Molecular Weight: 0
• UNII: 36EI79TX7I
• DSSTox Substance ID: DTXSID7046964
• Nikkaji Number: J8.071C
• Wikipedia: Methantheline
• Wikidata: Q6823610
• NCI Thesaurus Code: C83951
• Pharos Ligand ID: SQ65XNSJAPJ6
• Metabolomics Workbench ID: 43201
• ChEMBL ID: CHEMBL1201264
• Mol file: 5818-17-7.mol

Synonyms:Banthine;methantheline;methantheline bromide;Vagantin

Chemical Property of Methantheline

Chemical Property:

• Vapor Pressure: 8.3E-08mmHg at 25°C
• Boiling Point: 436.1°C at 760 mmHg
• Flash Point: 217.6°C
• PSA: 35.53000
• Density: 1.253g/cm³
• LogP: 3.95380
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 340.19126869
• Heavy Atom Count: 25
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
• Recent ClinicalTrials: Bioavailability of Vagantin? Coated Tablets Relative to an Oral Methantheline Bromide Solution

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