Ivabradine, (+/-)-

Base Information

• Chemical Name: Ivabradine, (+/-)-
• CAS No.: 148870-59-1
• Molecular Formula: C27H36N2O5
• Molecular Weight: 468.593
• UNII: C8ADC441ME
• DSSTox Substance ID: DTXSID40861394
• Wikidata: Q27275319
• Mol file: 148870-59-1.mol

Synonyms:Ivabradine, (+/-)-;Ivabradine (+/-)-form [MI];UNII-C8ADC441ME;C8ADC441ME;S-15544;148870-59-1;2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-;3-(3-{[(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl](methyl)amino}propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one;(+/-)-ivabradine;SCHEMBL333200;DTXSID40861394;STL504713;AKOS037487917;SB12484;FT-0697755;Q27275319

Chemical Property of Ivabradine, (+/-)-

Chemical Property:

• Boiling Point: 626.9±55.0 °C(Predicted)
• PSA: 60.47000
• Density: 1.146±0.06 g/cm3(Predicted)
• LogP: 3.24790
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 468.26242225
• Heavy Atom Count: 34
• Complexity: 663

Purity/Quality:

98%2H ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC
• Uses: (Ivabradin D6) Labeled Ivabradin, intended for use as an internal standard for the quantification of Ivabradin by GC- or LC-mass spectrometry.