Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, (Z)-2-butenedioate (1:1)
• CAS No.: 130590-09-9
• Molecular Formula: C37H48N4O6
• Molecular Weight: 644.8002

Synonyms:U 75412E;U-75412E;U75412E

Chemical Property of Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 2.34E-19mmHg at 25°C
• Boiling Point: 698.5°Cat760mmHg
• Flash Point: 376.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 644.35738526
• Heavy Atom Count: 47
• Complexity: 1190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C(N=CC=C1)N2CCN(CC2)CC(=O)C3C(CC4C3(CC=C5C4CCC6=CC(=O)C=CC65C)C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCNC1=C(N=CC=C1)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.C(=C\C(=O)O)\C(=O)O

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