Ciprokiren

Base Information

• Chemical Name: Ciprokiren
• CAS No.: 143631-62-3
• Molecular Formula: C37H55 N5 O8 S
• Molecular Weight: 729.93
• UNII: K259Z4O1B3
• Nikkaji Number: J550.681F
• NCI Thesaurus Code: C79133
• ChEMBL ID: CHEMBL2104380
• Mol file: 143631-62-3.mol

Synonyms:ciprokiren;Ro 44-9375;Ro-44-9375

Chemical Property of Ciprokiren

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1084.2°Cat760mmHg
• Flash Point: 609.5°C
• PSA: 206.38000
• Density: 1.288g/cm³
• LogP: 4.63440
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 17
• Exact Mass: 729.37713490
• Heavy Atom Count: 51
• Complexity: 1260

Purity/Quality:

99%min ^*data from raw suppliers

CIPROKIREN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC4CCCCC4)C(C(C5CC5)O)O
• Isomeric SMILES: CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4CCCCC4)[C@H]([C@H](C5CC5)O)O