U-74500A Free base

Base Information

• Chemical Name: U-74500A Free base
• CAS No.: 111640-85-8
• Molecular Formula: C39H57 N5 O2
• Molecular Weight: 627.9
• UNII: 8X8W6M3W33
• DSSTox Substance ID: DTXSID30912243
• Nikkaji Number: J445.476F
• Wikidata: Q27271157
• Mol file: 111640-85-8.mol

Synonyms:21-(4(3,6-di-N-diethylamine-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)-triene-3,20-dione;DDPPMPTD

Chemical Property of U-74500A Free base

Chemical Property:

• Vapor Pressure: 1.97E-23mmHg at 25°C
• Boiling Point: 766.9°Cat760mmHg
• Flash Point: 417.6°C
• PSA: 59.99000
• Density: 1.15g/cm³
• LogP: 6.55820
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 627.45122608
• Heavy Atom Count: 46
• Complexity: 1230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)CC(=O)C3C(CC4C3(CC=C5C4CCC6=CC(=O)C=CC65C)C)C
• Isomeric SMILES: CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)CC(=O)[C@H]3[C@@H](C[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)C=C[C@@]65C)C)C