Pentiapine maleate

Base Information

• Chemical Name: Pentiapine maleate
• CAS No.: 81382-52-7
• Molecular Formula: C19H21N5O4S
• Molecular Weight: 415.46614
• UNII: Z5P36MQ43L
• NCI Thesaurus Code: C90844
• Wikidata: Q27295035
• Mol file: 81382-52-7.mol

Synonyms:5-(4-methyl-1-piperazinyl)imidazo(2,1-b)(1,3,5)benzothiadiazepine maleate;CGS 10746B;CGS-10746-B;CGS-10746B

Chemical Property of Pentiapine maleate

Chemical Property:

• Vapor Pressure: 4.54E-12mmHg at 25°C
• Boiling Point: 548.2°C at 760 mmHg
• Flash Point: 285.3°C
• PSA: 136.56000
• LogP: 1.15410
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 415.13142534
• Heavy Atom Count: 29
• Complexity: 526

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24.C(=C\C(=O)O)\C(=O)O
• Uses: Antipsychotic.