Zenarestat
Zenarestat Structure
Systematic / IUPAC Name: [3-(4-Bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl]acetic acid
ID: Reference3195
Other Names:
ZES;
[3-(4-Bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl]-acetic acid ;
[3-(4-Bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetic acid;
1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo- ;
2-[7-Chloro-3-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazolin]-1-acetic acid
; more
Formula: C17H11BrClFN2O4
Spectral Data
Zenarestat mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 540 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/28/2015 10:24:07 AM |
Identificators
| InChI | InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24) |
| InChI Key | SXONDGSPUVNZLO-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
| CAS | 112733069 |
| Splash | |
| Other Names |
ZES; [3-(4-Bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl]-acetic acid ; [3-(4-Bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetic acid; 1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo- ; 2-[7-Chloro-3-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazolin]-1-acetic acid ; 2-{3-[(4-Bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetic acid; 2-{3-[(4-Bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl}acetic acid ; 3-(4-Bromo-2-fluorobenzyl)-7-chloro-3,4-dihydro-2,4-dioxo-1(2H)-quinazolineacetic acid; FR-74366 ; FK-366 |
In Other Databases
| Wikipedia | Zenarestat |
| ChemIDPlus | 112733069 |
| PubChem | 5724 |
| ChemSpider | 5522 |
| ChEMBL | CHEMBL10413 |
| DrugBank | DB02132 |
| KEGG | D03807 |