Thenalidine maleate

Base Information

• Chemical Name: Thenalidine maleate
• CAS No.: 53892-20-9
• Molecular Formula: C21H26N2O4S
• Molecular Weight: 402.50714
• European Community (EC) Number: 258-844-2
• UNII: YYO25I8VV7
• Wikidata: Q27294790
• Mol file: 53892-20-9.mol

Synonyms:Thenalidine maleate;EINECS 258-844-2;UNII-YYO25I8VV7;YYO25I8VV7;53892-20-9;1-Methyl-4-(phenyl(thien-2-ylmethyl)ammonio)piperidinium maleate;C17H22N2S.C4H4O4;C17-H22-N2-S.C4-H4-O4;1-METHYL-4-[PHENYL(THIEN-2-YLMETHYL)AMMONIO]PIPERIDINIUM MALEATE;THENALIDINE HYDROGEN MALEATE;THENALIDINE MALEATE [WHO-DD];Q27294790;4-PIPERIDINAMINE, 1-METHYL-N-PHENYL-N-(2-THIENYLMETHYL)-, (2Z)-2-BUTENEDIOATE (1:1);4-PIPERIDINAMINE, 1-METHYL-N-PHENYL-N-(2-THIENYLMETHYL)-, (Z)-2-BUTENEDIOATE (1:1)

Chemical Property of Thenalidine maleate

Chemical Property:

• Vapor Pressure: 4.64E-07mmHg at 25°C
• Boiling Point: 413.9°Cat760mmHg
• Flash Point: 204.1°C
• PSA: 109.32000
• Density: g/cm³
• LogP: 3.49860
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 402.16132849
• Heavy Atom Count: 28
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

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