Systematic / IUPAC Name: 4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
ID: Reference3149
Other Names:
4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid;
4-[Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid;
Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-
Formula: C21H15N3O4
Class: Therapeutics/Prescription Drugs
Deferasirox mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 10/22/2015 7:28:13 AM |
InChI | InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28) |
InChI Key | BOFQWVMAQOTZIW-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O |
CAS | 201530418 |
Splash | |
Other Names |
4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid; 4-[Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid; Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]- |
KEGG | D03669 |
ChemSpider | 10770206 |
Wikipedia | Deferasirox |
DrugBank | DB01609 |
ChEBI | CHEBI:49005 |
HMDb | HMDB15547 |