Home Other Building Blocks Deferasirox Salicyloyl Ester

Deferasirox Salicyloyl Ester

CAS No.:
1395346-28-7
Catalog Number:
AG009EIK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EIK
Chemical Name:
Deferasirox Salicyloyl Ester
CAS Number:
1395346-28-7
MDL Number:
MFCD31562839
IUPAC Name:
4-[3-[2-(2-hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
InChI:
InChI=1S/C28H19N3O6/c32-22-10-4-1-7-19(22)26-29-25(30-31(26)18-15-13-17(14-16-18)27(34)35)21-9-3-6-12-24(21)37-28(36)20-8-2-5-11-23(20)33/h1-16,32-33H,(H,34,35)
InChI Key:
AMIJCIIYZDKOKA-UHFFFAOYSA-N
Properties
Complexity:
790  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.127g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
493.475g/mol
Monoisotopic Mass:
493.127g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Properties