Nemifitide ditriflutate

Base Information

• Chemical Name: Nemifitide ditriflutate
• CAS No.: 204992-09-6
• Molecular Formula: C37H45F7N10O10
• Molecular Weight: 0
• UNII: 27454M5E8Z
• NCI Thesaurus Code: C166549
• ChEMBL ID: CHEMBL2146091
• Mol file: 204992-09-6.mol

Synonyms:4-fluoro-L-phenylalanyl-trans-4-hydroxy-L-prolyl-L-arginyl-glycyl-tryptophanamide ditrifluoroacetate;INN 00835;INN-00835;INN00835;nemifitide ditriflutate

Chemical Property of Nemifitide ditriflutate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 349.24000
• Density: g/cm³
• LogP: 3.18440
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 16
• Exact Mass: 922.32083481
• Heavy Atom Count: 64
• Complexity: 1310

Purity/Quality:

99%+, ^*data from raw suppliers

NemifitidediTFA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN(C1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C(CC4=CC=C(C=C4)F)N)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• Isomeric SMILES: C1[C@H](CN([C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)[C@H](CC4=CC=C(C=C4)F)N)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• Uses: Antidepressant.