Magnoflorine styphnate

Base Information

• Chemical Name: Magnoflorine styphnate
• CAS No.: 2140-90-1
• Molecular Formula: C26H26N4O12
• Molecular Weight: 586.5042
• DSSTox Substance ID: DTXSID10175672
• ChEMBL ID: CHEMBL1789977

Synonyms:Magnoflorine styphnate;2140-90-1;4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-, salt with 2,4,6-trinitro-1,3-benzenediol (1:1);CHEMBL1789977;DTXSID10175672

Chemical Property of Magnoflorine styphnate

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 586.15472228
• Heavy Atom Count: 42
• Complexity: 841

Purity/Quality:

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• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])O)[N+](=O)[O-]
• Isomeric SMILES: C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])O)[N+](=O)[O-]

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