Pinaverium

Base Information

• Chemical Name: Pinaverium
• CAS No.: 59995-65-2
• Molecular Formula: C26H41 Br N O4
• Molecular Weight: 591.42
• DSSTox Substance ID: DTXSID90860655
• Nikkaji Number: J22.056F
• Wikipedia: Pinaverium_bromide
• Wikidata: Q1236146
• Pharos Ligand ID: KY8W9HP5NGMG
• Metabolomics Workbench ID: 152144
• ChEMBL ID: CHEMBL1909324
• Mol file: 59995-65-2.mol

Synonyms:4-(6-bromoveratryl)-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromide;Dicetel;Eldicet;pinaverium;pinaverium bromide

Chemical Property of Pinaverium

Chemical Property:

• PSA: 36.92000
• LogP: 2.25510
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 510.22190
• Heavy Atom Count: 32
• Complexity: 596

Purity/Quality:

99% ^*data from raw suppliers

PINAVERIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C
• Recent ClinicalTrials: Pinaverium and Herbs for Irritable Bowel Syndrome Treatment: an Onset and Offset Study (PHIBEST)