Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, hydrochloride, (16alpha)-

Base Information

• Chemical Name: Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, hydrochloride, (16alpha)-
• CAS No.: 110101-65-0
• Molecular Formula: C39H57 N5 O2 . x Cl H
• Molecular Weight: 664.3631
• UNII: IDW4RCM01L
• DSSTox Substance ID: DTXSID70911497
• Wikidata: Q27280674
• Mol file: 110101-65-0.mol

Synonyms:21-(4-(3,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)triene-3,20-dione HCl;21-(4-(5,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)triene-3,20-dione HCl;U 74500A;U 74500E;U-74500A;U-74500E;U74500;U74500A;U74500E

Chemical Property of Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, hydrochloride, (16alpha)-

Chemical Property:

• Vapor Pressure: 1.97E-23mmHg at 25°C
• Boiling Point: 766.9°C at 760 mmHg
• Flash Point: 417.6°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 663.4279038
• Heavy Atom Count: 47
• 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.Cl
• 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.Cl