Zolantidine dimaleate

Base Information

• Chemical Name: Zolantidine dimaleate
• CAS No.: 104076-39-3
• Molecular Formula: C22H27N3OS.2C4H4O4
• Molecular Weight: 613.67900
• UNII: AL1YII70LM
• DSSTox Substance ID: DTXSID7045811
• ChEMBL ID: CHEMBL1529009
• Mol file: 104076-39-3.mol

Synonyms:Zolantidine dimaleate;104076-39-3;SKF 95282 dimaleate;UNII-AL1YII70LM;AL1YII70LM;Zolantidine (dimaleate);DTXSID7045811;NCGC00094486-01;N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine dimaleate;2-Benzothiazolamine, N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, (2Z)-2-butenedioate (1:2);DTXCID5025811;2-Benzothiazolamine,N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-;N-(3-(3-(Piperidin-1-ylmethyl)phenoxy)propyl)benzo[d]thiazol-2-amine dimaleate;N-[3-[3-(1-PIPERIDINYLMETHYL)PHENOXY]PROPYL]-2-BENZOTHIAZOLAMINE DIMALEATE;N-[3-[3-(Piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine dimaleate salt;CAS-104076-39-3;SR-01000075175;(Z)-but-2-enedioic acid;N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine;CHEMBL1529009;HMS3263J12;HMS3412E11;HMS3676E11;Tox21_111285;Tox21_501245;AKOS024456368;Tox21_111285_1;CCG-222549;HY-101373A;LP01245;NCGC00015957-06;NCGC00261930-01;CS-0021247;EU-0101245;S 5317;J-001100;SKF-95282 dimaleate salt, solid, >98% (HPLC);SR-01000075175-1;SR-01000075175-3;Q27273973;N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]-2-benzothiazolamine;N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]-2-benzothiazolamine dimaleate;Zolantidine

Chemical Property of Zolantidine dimaleate

Chemical Property:

• PSA: 214.83000
• LogP: 4.59770
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 613.20940088
• Heavy Atom Count: 43
• Complexity: 551

Purity/Quality:

95% ^*data from raw suppliers

SKF-95282DimaleateSalt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

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