Nicocortonide

Base Information

• Chemical Name: Nicocortonide
• CAS No.: 65415-41-0
• Molecular Formula: C31H37 N O7
• Molecular Weight: 535.63
• European Community (EC) Number: 265-754-7
• UNII: 341BNG318Y
• Wikipedia: Nicocortonide
• Wikidata: Q27256314
• NCI Thesaurus Code: C84009
• Mol file: 65415-41-0.mol

Synonyms:14 alpha, 17 alpha-(2-butenylidenedioxy)-11 beta-hydroxy-3,20-dioxopregn-4-en-21-yl-isonicotinate;nicocortonide

Chemical Property of Nicocortonide

Chemical Property:

• Vapor Pressure: 1.49E-20mmHg at 25°C
• Boiling Point: 699.7°C at 760 mmHg
• Flash Point: 377°C
• PSA: 112.02000
• Density: 1.31g/cm³
• LogP: 4.12060
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 535.25700252
• Heavy Atom Count: 39
• Complexity: 1110

Purity/Quality:

99% ^*data from raw suppliers

NICOCORTONIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CC1OC23CCC(C2(CC(C4C3CCC5=CC(=O)CCC45C)O)C)(O1)C(=O)COC(=O)C6=CC=NC=C6
• Isomeric SMILES: C/C=C\C1O[C@@]23CC[C@]([C@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)(O1)C(=O)COC(=O)C6=CC=NC=C6