N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid

Base Information

• Chemical Name: N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid
• CAS No.: 115392-78-4
• Molecular Formula: C35H54N2O6
• Molecular Weight: 598.8
• DSSTox Substance ID: DTXSID90921715
• Mol file: 115392-78-4.mol

Synonyms:DTXSID90921715;N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid

Chemical Property of N-[20-(Dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclopregnan-3-yl]-4-hydroxy-3,5-dimethoxybenzene-1-carboximidic acid

Chemical Property:

• Vapor Pressure: 5.66E-20mmHg at 25°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 598.39818745
• Heavy Atom Count: 43
• Complexity: 1070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)NC(=O)C6=CC(=C(C(=C6)OC)O)OC)C)C)O)N(C)C
• Isomeric SMILES: C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H]([C@@]5(C)CO)NC(=O)C6=CC(=C(C(=C6)OC)O)OC)C)C)O)N(C)C