Clentiazem maleate

Base Information

• Chemical Name: Clentiazem maleate
• CAS No.: 96128-92-6
• Molecular Formula: C26H29ClN2O8S
• Molecular Weight: 565.044
• UNII: YN4F0N5QE0
• ChEMBL ID: CHEMBL3989612
• NCI Thesaurus Code: C169857
• Wikidata: Q27294596
• Mol file: 96128-92-6.mol

Synonyms:3-acetoxy-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-(5H)-one maleate;8-chlorodiltiazem;clentiazem;clentiazem maleate;TA 3090;TA-3090

Chemical Property of Clentiazem maleate

Chemical Property:

• Vapor Pressure: 1.31E-15mmHg at 25°C
• Melting Point: 160.5-161.5°
• Boiling Point: 626.4°C at 760 mmHg
• Flash Point: 332.7°C
• PSA: 158.98000
• LogP: 3.79870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 564.1333148
• Heavy Atom Count: 38
• Complexity: 719

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(=C\C(=O)O)\C(=O)O