Valpin

Base Information

• Chemical Name: Valpin
• CAS No.: 70642-90-9
• Molecular Formula: C17H32 N O2
• Molecular Weight: 0
• European Community (EC) Number: 201-285-6
• UNII: 704G17JK68
• Nikkaji Number: J231.661G
• Wikipedia: Octatropine_methylbromide
• Pharos Ligand ID: QA58HPFQRXXU
• ChEMBL ID: CHEMBL1186610
• Mol file: 70642-90-9.mol

Synonyms:anisotropine methylbromide;anisotropine methylbromide, (endo)-isomer;octatropine;octotropine methylbromide;Valpin

Chemical Property of Valpin

Chemical Property:

• PSA: 26.30000
• LogP: 3.47460
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 282.243304264
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C
• Isomeric SMILES: CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C

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