Alniditan

Base Information

• Chemical Name: Alniditan
• CAS No.: 152317-89-0
• Molecular Formula: C17H26 N4 O
• Molecular Weight: 375.3364
• UNII: B57Z82EOGE
• DSSTox Substance ID: DTXSID20870005
• Nikkaji Number: J737.734G
• Wikipedia: Alniditan
• Wikidata: Q4734060
• NCI Thesaurus Code: C77255
• Pharos Ligand ID: T58WCZNGSSK7
• ChEMBL ID: CHEMBL88240
• Mol file: 152317-89-0.mol

Synonyms:alniditan;N-(3,4-dihydro-2H-1-benzopyran-2-yl methyl)-N'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1,3-propanediamine dihydrochloride;R 091274;R-091274;R091274

Chemical Property of Alniditan

Chemical Property:

• Vapor Pressure: 6.31E-09mmHg at 25°C
• Boiling Point: 467.8°C at 760 mmHg
• Flash Point: 236.7°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 302.21066147
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=NC1)NCCCNCC2CCC3=CC=CC=C3O2
• Isomeric SMILES: C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2