Midazogrel

Base Information

• Chemical Name: Midazogrel
• CAS No.: 80614-27-3
• Molecular Formula: C18H24 N2 O
• Molecular Weight: 0
• UNII: 04HCK0SD2O
• DSSTox Substance ID: DTXSID801024655
• Wikidata: Q27247651
• NCI Thesaurus Code: C66148
• ChEMBL ID: CHEMBL2106909
• Mol file: 80614-27-3.mol

Synonyms:1-(3-benzyloxy-1(E)octenyl)imidazole;CBS 645;CBS-645

Chemical Property of Midazogrel

Chemical Property:

• Vapor Pressure: 5.53E-08mmHg at 25°C
• Boiling Point: 441.2°C at 760 mmHg
• Flash Point: 220.7°C
• PSA: 27.05000
• Density: 0.99g/cm³
• LogP: 4.51950
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 284.188863393
• Heavy Atom Count: 21
• Complexity: 287

Purity/Quality:

MIDAZOGREL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CN1C=CN=C1)OCC2=CC=CC=C2
• Isomeric SMILES: CCCCCC(/C=C/N1C=CN=C1)OCC2=CC=CC=C2