Ethanone, 1-(8-chloro-10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Base Information

• Chemical Name: Ethanone, 1-(8-chloro-10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)
• CAS No.: 66949-53-9
• Molecular Formula: C29H31ClN2O9S
• Molecular Weight: 619.0824
• Mol file: 66949-53-9.mol

Synonyms:VUFB-10651;2-Acetyl-8-chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate H2O (2:4:1);Ethanone, 1-(8-chloro-10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1);66949-53-9;LS-67241;C21H23ClN2OS.2C4H4O4.1/2H2O;C21-H23-Cl-N2-O-S.2C4-H4-O4.1/2H2-O

Chemical Property of Ethanone, 1-(8-chloro-10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Chemical Property:

• Vapor Pressure: 1.24E-10mmHg at 25°C
• Boiling Point: 512.9°C at 760 mmHg
• Flash Point: 264°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 618.1438794
• Heavy Atom Count: 42
• Complexity: 629

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(C2)N4CCN(CC4)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(=O)C1=CC2=C(SC3=C(C(C2)N4CCN(CC4)C)C=C(C=C3)Cl)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O