2-Ethoxy-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Base Information

• Chemical Name: 2-Ethoxy-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
• CAS No.: 70931-67-8
• Molecular Formula: C25H29FN2O5S
• Molecular Weight: 488.5716

Synonyms:Compound 12354;2-Ethoxy-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate;8-Ethoxy-3-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate;Piperazine, 1-(10,11-dihydro-8-ethoxy-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1);70931-67-8;C21H25FN2OS.C4H4O4;LS-111621;C21-H25-F-N2-O-S.C4-H4-O4

Chemical Property of 2-Ethoxy-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Chemical Property:

• Vapor Pressure: 1.58E-08mmHg at 25°C
• Boiling Point: 456.7°C at 760 mmHg
• Flash Point: 230°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 488.17812137
• Heavy Atom Count: 34
• Complexity: 578

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)F.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCOC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

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