6-(4-Methylpiperazino)-8-isopropylbenzo(b)pyrido(3,2-f)thiepin maleate hemihydrate

Base Information

• Chemical Name: 6-(4-Methylpiperazino)-8-isopropylbenzo(b)pyrido(3,2-f)thiepin maleate hemihydrate
• CAS No.: 51724-16-4
• Molecular Formula: C25H29N3O4S
• Molecular Weight: 467.5805

Synonyms:6-(4-Methylpiperazino)-8-isopropylbenzo(b)pyrido(3,2-f)thiepin maleate hemihydrate;(1)Benzothiepino(2,3-b)pyridine, 8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:2:1);51724-16-4;LS-41098;C21H25N3S.C4H4O4.1/2H2O;C21-H25-N3-S.C4-H4-O4.1/2H2-O

Chemical Property of 6-(4-Methylpiperazino)-8-isopropylbenzo(b)pyrido(3,2-f)thiepin maleate hemihydrate

Chemical Property:

• Vapor Pressure: 1.2E-10mmHg at 25°C
• Boiling Point: 513.3°Cat760mmHg
• Flash Point: 264.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 467.18787759
• Heavy Atom Count: 33
• Complexity: 613

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)SC3=C(C=CC=N3)C=C2N4CC[NH+](CC4)C.C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: CC(C)C1=CC2=C(C=C1)SC3=C(C=CC=N3)C=C2N4CC[NH+](CC4)C.C(=C\C(=O)[O-])\C(=O)O

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