| CAS Number | 1404104-40-0 |
| Catalog Number | AG01EQB0(AGN-PC-3H477M) |
| Chemical Name | Endoplasmic reticulum dye 1 |
| IUPAC Name | carbon monoxide;1,10-phenanthroline;rhenium;4-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine |
| InChI | InChI=1S/C12H8N2.C6H4N5.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-4-2-5(1)6-8-10-11-9-6;3*1-2;/h1-8H;1-4H;;;;/q;-1;;;; |
| InChI Key | GGYCJXCZGIQNIL-UHFFFAOYSA-N |
| MDL Number | MFCD00006339 |
| Molecular Formula | C21H12N7O3Re |
| Molecular Weight | 596.5721 |
| SMILES | C([Re+]1([N-]2N=NC(C3=CC=NC=C3)=N2)([N]2=CC=CC3=CC=C4C=CC=[N]1C4=C23)(C#[O])C#[O])#[O] |
| Synonyms | (OC-6-33)-tricarbonyl(1,10-phenanthroline-kappaN1,kappaN10)[4-(2H-tetrazol-5-yl-kappaN2)pyridinato]-rhenium,
1404104-40-0,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 597.056g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 596.58g/mol |
| Monoisotopic Mass | 597.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number