H 87 (vasodilator)

Base Information

• Chemical Name: H 87 (vasodilator)
• CAS No.: 130964-43-1
• Molecular Formula: C20H20ClN3O2S
• Molecular Weight: 401.9097
• Nikkaji Number: J490.902J
• Mol file: 130964-43-1.mol

Synonyms:H 87;H 89;H-87;H-89;H-89 dihydrochloride hydrate;h89;N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide;protein kinase A inhibitor H89

Chemical Property of H 87 (vasodilator)

Chemical Property:

• Vapor Pressure: 1.48E-15mmHg at 25°C
• Boiling Point: 625.4°Cat760mmHg
• Flash Point: 332°C
• Density: 1.311g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 401.0964758
• Heavy Atom Count: 27
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Cl
• Isomeric SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Cl