Chloropretadalafil

Base Information

• Chemical Name: Chloropretadalafil
• CAS No.: 171596-58-0
• Deprecated CAS: 1224941-84-7
• Molecular Formula: C22H19ClN2O5
• European Community (EC) Number: 689-794-3
• UNII: 1P8ITA120M
• DSSTox Substance ID: DTXSID501102383,DTXSID601347683
• Nikkaji Number: J2.568.854F
• Wikidata: Q27252711

Synonyms:(1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester

Chemical Property of Chloropretadalafil

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 426.0982494
• Heavy Atom Count: 30
• Complexity: 678

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1CC2=C(C(N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25
• Isomeric SMILES: COC(=O)[C@H]1CC2=C([C@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

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