Tropatepine

Base Information

• Chemical Name: Tropatepine
• CAS No.: 27574-24-9
• Molecular Formula: C22H23 N S
• Molecular Weight: 333.49
• Hs Code.: 2934999090
• UNII: C27HY5RFU5
• Nikkaji Number: J9.902C
• Wikipedia: Tropatepine
• NCI Thesaurus Code: C152762
• Metabolomics Workbench ID: 154081
• ChEMBL ID: CHEMBL2107294
• Mol file: 27574-24-9.mol

Synonyms:3-dibenzo(b,e)thiepin-11(6H)-ylidene- 1 alpha H,5 alpha H-tropane;Lepticur;tropatepine

Chemical Property of Tropatepine

Chemical Property:

• Vapor Pressure: 7.23E-10mmHg at 25°C
• Boiling Point: 493.1°Cat760mmHg
• PKA: 10.59±0.20(Predicted)
• Flash Point: 252°C
• PSA: 28.54000
• Density: 1.19g/cm³
• LogP: 5.28870
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 333.15512091
• Heavy Atom Count: 24
• Complexity: 496

Purity/Quality:

99%, ^*data from raw suppliers

TROPATEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2