Vofopitant dihydrochloride

Base Information

• Chemical Name: Vofopitant dihydrochloride
• CAS No.: 168266-51-1
• Molecular Formula: C₂₁H₂₃F₃N₆O*2ClH
• Molecular Weight: 505.37
• European Community (EC) Number: 800-326-0
• UNII: 53187BIJ00
• DSSTox Substance ID: DTXSID00168538
• NCI Thesaurus Code: C152903
• Pharos Ligand ID: 48P4SKQC1HWC
• ChEMBL ID: CHEMBL557983
• Mol file: 168266-51-1.mol

Synonyms:GR205171A;substance P (6-11), Tyr(6)-D-Phe(7)-D-His(9)-;Tyr(6)-D-Phe(7)-D-His(9)-substance P (6-11)

Chemical Property of Vofopitant dihydrochloride

Chemical Property:

• Vapor Pressure: 7.83E-12mmHg at 25°C
• Boiling Point: 542.5°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 82.09000
• Density: g/cm³
• LogP: 5.59630
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 504.1418993
• Heavy Atom Count: 33
• Complexity: 562

Purity/Quality:

99%min ^*data from raw suppliers

Vofopitantdihydrochloride 99.11% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CNC3CCCNC3C4=CC=CC=C4.Cl.Cl
• Isomeric SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4.Cl.Cl
• Uses: Antiemetic (tachykinin NK1receptor antagonist).

Technology Process of Vofopitant dihydrochloride

There total 1 articles about Vofopitant dihydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ Vofopitant dihydrochloride (168266-51-1)

Guidance literature:

Refernces