4-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate

Base Information

• Chemical Name: 4-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate
• CAS No.: 41932-78-9
• Molecular Formula: C30H36N2O8S
• Molecular Weight: 584.6804

Synonyms:4-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate;Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-7-methyl-4-phenyl-1-benzothiepin-5-yl)-, (Z)-2-butenedioate, hydrate (1:2:1);41932-78-9;C22H28N2S.2C4H4O4.H2O;LS-112989;C22-H28-N2-S.2C4-H4-O4.H2-O

Chemical Property of 4-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate

Chemical Property:

• Vapor Pressure: 8.52E-09mmHg at 25°C
• Boiling Point: 464.2°Cat760mmHg
• Flash Point: 234.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 584.21923728
• Heavy Atom Count: 41
• Complexity: 533

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SCCC(C2N3CCN(CC3)C)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=CC2=C(SCCC(C2N3CCN(CC3)C)C4=CC=CC=C4)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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