11-(4-(3-Mandeloyloxypropyl)piperazino)-2-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate

Base Information

• Chemical Name: 11-(4-(3-Mandeloyloxypropyl)piperazino)-2-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate
• CAS No.: 86490-12-2
• Molecular Formula: C34H38N2O7S2
• Molecular Weight: 650.8047

Synonyms:11-(4-(3-Mandeloyloxypropyl)piperazino)-2-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate;Benzeneacetic acid, alpha-hydroxy-, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:1);86490-12-2;C30H34N2O3S2.C4H4O4;LS-28823;C30-H34-N2-O3-S2.C4-H4-O4

Chemical Property of 11-(4-(3-Mandeloyloxypropyl)piperazino)-2-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate

Chemical Property:

• Vapor Pressure: 6.16E-19mmHg at 25°C
• Boiling Point: 671.3°C at 760 mmHg
• Flash Point: 359.8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 650.21204390
• Heavy Atom Count: 45
• Complexity: 832

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCOC(=O)C(C5=CC=CC=C5)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCOC(=O)C(C5=CC=CC=C5)O.C(=C/C(=O)O)\C(=O)O

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