| CAS Number | 1101113-39-6 |
| Catalog Number | AG0097FP |
| Chemical Name | MitoTEMPOL |
| IUPAC Name | 5-(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium;bromide |
| InChI | InChI=1S/C32H42NO2P.BrH/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30;/h5-7,9-14,17-22,27H,8,15-16,23-26H2,1-4H3;1H/q+1;/p-1 |
| InChI Key | NCMZESLTQCMFES-UHFFFAOYSA-M |
| MDL Number | MFCD00153861 |
| Molecular Formula | C32H42BrNO2P |
| Molecular Weight | 583.5591 |
| SMILES | [O]N1C(C)(C)CC(OCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC1(C)C.[Br-] |
| Synonyms | MitoTEMPOL,
1101113-39-6,
|
| Complexity | 583 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 582.214g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 583.571g/mol |
| Monoisotopic Mass | 582.214g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 13.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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