| CAS Number | 1821370-28-8 |
| Catalog Number | AG01ENEV(AGN-PC-3H45KE) |
| Chemical Name | MitoPQ |
| IUPAC Name | 10-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decyl-triphenylphosphanium;triiodide |
| InChI | InChI=1S/C39H46N2P.3HI/c1-40-30-25-35(26-31-40)36-27-32-41(33-28-36)29-17-6-4-2-3-5-7-18-34-42(37-19-11-8-12-20-37,38-21-13-9-14-22-38)39-23-15-10-16-24-39;;;/h8-16,19-28,30-33H,2-7,17-18,29,34H2,1H3;3*1H/q+3;;;/p-3 |
| InChI Key | AOZZGHKENAZYTD-UHFFFAOYSA-K |
| MDL Number | MFCD00076738 |
| Molecular Formula | C39H46I3N2P |
| Molecular Weight | 954.4831 |
| SMILES | C[N+]1=CC=C(C2=CC=[N+](CCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)C=C1.[I-].[I-].[I-] |
| Synonyms | MitoParaquat,
MitoPQ,
1821370-28-8,
|
| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 954.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 954.498g/mol |
| Monoisotopic Mass | 954.053g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 7.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number