Dimeric Tyrphostin 3

Base Information

• Chemical Name: Dimeric Tyrphostin 3
• CAS No.: 168835-84-5
• Molecular Formula: C22H18N4O6
• DSSTox Substance ID: DTXSID001138022
• Nikkaji Number: J1.892.096D,J807.060A
• ChEMBL ID: CHEMBL144908
• Mol file: 168835-84-5.mol

Synonyms:CHEMBL144908;Dimeric Tyrphostin 3;Tirfostin;BDBM5150;SCHEMBL6217616;SCHEMBL8486593;DTXSID001138022;N,N'-Ethylenebis[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide];(2E,2'E)-N,N'-1,2-Ethanediylbis[2-cyano-3-(3,4-dihydroxyphenyl)-2-propenamide];(2E)-2-cyano-N-{2-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]ethyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide;168835-84-5

Chemical Property of Dimeric Tyrphostin 3

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 434.12263431
• Heavy Atom Count: 32
• Complexity: 781

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=C(C#N)C(=O)NCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C(/C(=O)NCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)\C#N)O)O

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