5,11-Dihydro-11-(((2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)amino)carbonyl)-6H-pyrido(2,3-b)(1,4)-benzodiazepin-6-one methanesulfonate

Base Information

• Chemical Name: 5,11-Dihydro-11-(((2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)amino)carbonyl)-6H-pyrido(2,3-b)(1,4)-benzodiazepin-6-one methanesulfonate
• CAS No.: 118290-27-0
• Molecular Formula: C28H42N6O5S
• Molecular Weight: 574.7353
• DSSTox Substance ID: DTXSID60922653
• Wikipedia: AFDX-384
• ChEMBL ID: CHEMBL113188
• Mol file: 118290-27-0.mol

Synonyms:5,11-dihydro-11-(((2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)amino)carbonyl)-6H-pyrido(2,3-b)(1,4)-benzodiazepin-6-one methanesulfonate;AF-DX 384;AFDX 384

Chemical Property of 5,11-Dihydro-11-(((2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)amino)carbonyl)-6H-pyrido(2,3-b)(1,4)-benzodiazepin-6-one methanesulfonate

Chemical Property:

• Appearance/Colour: Pale yellow solid
• Vapor Pressure: 3.21E-15mmHg at 25°C
• Melting Point: 164-165oC
• Refractive Index: 1.57
• Boiling Point: 618.4 °C at 760 mmHg
• Flash Point: 327.8 °C
• PSA: 149.01000
• Density: 1.144g/cm³
• LogP: 4.88780
• Storage Temp.: Store at RT
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 574.29373964
• Heavy Atom Count: 40
• Complexity: 777

Purity/Quality:

99% ^*data from raw suppliers

AF-DX 384 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.CS(=O)(=O)O
• Uses: AF-DX 384 is a potent mAChR M2/mAChR M4?selective antagonist.