Basic information
- CAS
1395346-28-7- Standard SMILES
O=C(O)c1ccc(-n2nc(-c3ccccc3OC(=O)c3ccccc3O)nc2-c2ccccc2O)cc1- InChIKey
AMIJCIIYZDKOKA-UHFFFAOYSA-N- Molecular formula
- C28H19N3O6
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 493.12738533
Names & identifiers
- Preferred name
- 2-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester
- IUPAC
- 4-[3-[2-(2-hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
- English name
- Deferasirox Salicyloyl Ester
- Molecular formula
- C28H19N3O6
- Molecular weight
- 493.47
Names & synonyms
1395346-28-72-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester2-Hydroxybenzoic Acid 2-(1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)phenyl EsterRefChem:473404844-302-8Deferasirox Salicyloyl Ester4-[3-[2-(2-Hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid4-(3-(2-((2-hydroxybenzoyl)oxy)phenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acidDeferasirox Impurity 6Deferasirox Impurity 6Deferasirox Salicyloyl Ester; Benzoic acid, 2-hydroxy-, 2-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl ester; Deferasirox Salicylyl Derivative; 4-[3-[2-(2-Hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic AcidDeferasirox Impurity 15
Show more names
Benzoic acid, 2-hydroxy-, 2-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl ester
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Boiling point
- 785.9 · 785.9±70.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.54 · 3.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 273 · P273-P501
Safety & regulation
GHS classification
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDeferasirox Saalicyloyl Ester is an impurity of Deferasirox (D228650), orally active tridentate iron chelator.
Suppliers26 total
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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