Ezlopitant metabolite M17

Base Information

• Chemical Name: Ezlopitant metabolite M17
• CAS No.: 156749-85-8
• Molecular Formula: C31H36N2O
• UNII: 95L22I06RI
• Nikkaji Number: J1.389.902I

Synonyms:Ezlopitant metabolite M17;CJ-12458;95L22I06RI;CJ-12,458;(2S,3S)-2-(Diphenylmethyl)-N-((2-methoxy-5-(1-methylethenyl)phenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amine;1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxy-5-(1-methylethenyl)phenyl)methyl)-, (2S,3S)-;1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxy-5-(1-methylethenyl)phenyl)methyl)-, (2S-cis)-;156749-85-8;UNII-95L22I06RI;SCHEMBL6556930

Chemical Property of Ezlopitant metabolite M17

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 452.282763776
• Heavy Atom Count: 34
• Complexity: 626

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3
• Isomeric SMILES: CC(=C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

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