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Azeliragon structure
Azeliragon structure

Azeliragon

Iupac Name:3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CAS No.:603148-36-3
Molecular Weight:532.116
1. Names and Identifiers
1.1 Name
Azeliragon
1.2 Synonyms

1-PropanaMine, 3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-iMidazol-4-yl]phenoxy]-N,N-diethyl- 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1H-imidazol-4-yl)phenoxy)-N,N-diethylpropan-1-amine 3--4--2-Butyl-1--4--4-chlorphenoxy-phenyl--1H-imidazol-4-yl-phenoxy--N-N-diethylpropan-1-amin AZELIRAGON Azeliragon (TTP488) Azeliragon(PF-04494700,TTP488) CRL 40G N-[3-[4-[2-Butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl]phenoxy]propyl]-N,N-diethylamine

1.3 CAS No.
603148-36-3
1.4 CID
11180124
1.5 Molecular Formula
C32H38ClN3O2 (isomer)
1.6 Inchi
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
1.7 InChkey
KJNNWYBAOPXVJY-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC
1.9 Isomers Smiles
CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC
2. Properties
3.1 Density
1.11
3.2 Boiling Point
667.7°C at 760 mmHg
3.3 Refractive Index
1.572
3.4 Flash Point
357.6°C
3.5 pKa
10.16±0.25(Predicted)
3.6 Solubility
Insuluble (1.3E-6 g/L) (25 oC),
4. Computational chemical data
  • Molecular Weight:532.116g/mol
  • Molecular Formula:C32H38ClN3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:8.3
  • Exact Mass:531.2652552
  • Monoisotopic Mass:531.2652552
  • Complexity:626
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:39.5
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Azeliragon CAS 603148-36-3
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Azeliragon
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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