Clopenthixol decanoate

Base Information

• Chemical Name: Clopenthixol decanoate
• CAS No.: 55501-05-8
• Molecular Formula: C32H43 Cl N2 O2 S
• Molecular Weight: 526.15292
• European Community (EC) Number: 259-675-7
• UNII: WBS0PLG8GD
• DSSTox Substance ID: DTXSID80897157
• Nikkaji Number: J267.010K
• Wikidata: Q27292551
• Mol file: 55501-05-8.mol

Synonyms:clopenthixol decanoate;clopentixol decanoate;zuclopenthixole decanoate

Chemical Property of Clopenthixol decanoate

Chemical Property:

• Vapor Pressure: 1.97E-17mmHg at 25°C
• Boiling Point: 662.7°C at 760 mmHg
• Flash Point: 354.6°C
• PSA: 58.08000
• Density: 1.152g/cm³
• LogP: 7.80370
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 554.2733775
• Heavy Atom Count: 38
• Complexity: 726

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
• Isomeric SMILES: CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl