9,10-Secostrychnidin-10-oic acid, (12alpha)-

Base Information

• Chemical Name: 9,10-Secostrychnidin-10-oic acid, (12alpha)-
• CAS No.: 466-86-4
• Molecular Formula: C₂₁H₂₄N₂O₃
• Molecular Weight: 352.433
• DSSTox Substance ID: DTXSID90196885

Synonyms:12-Isostrychnic acid;9,10-Secostrychnidin-10-oic acid, (12alpha)-;466-86-4;SCHEMBL18310349;DTXSID90196885

Chemical Property of 9,10-Secostrychnidin-10-oic acid, (12alpha)-

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 352.17869263
• Heavy Atom Count: 26
• Complexity: 664

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O
• Isomeric SMILES: C1CN2CC3=CCO[C@@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=CC=CC=C56)CC(=O)O

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