1-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-(2-fluoroethyl)urea

Base Information

• Chemical Name: 1-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-(2-fluoroethyl)urea
• CAS No.: 13907-97-6
• Molecular Formula: C30H53FN2O
• Molecular Weight: 476.753
• NSC Number: 95966
• Mol file: 13907-97-6.mol

Synonyms:NSC95966;NSC-95966;13907-97-6

Chemical Property of 1-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-(2-fluoroethyl)urea

Chemical Property:

• Vapor Pressure: 1.32E-13mmHg at 25°C
• Boiling Point: 583.5°Cat760mmHg
• Flash Point: 306.7°C
• Density: 1.02g/cm³
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 476.41419248
• Heavy Atom Count: 34
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)NCCF)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)NCCF)C)C