| CAS Number | 71501-19-4 |
| Catalog Number | AG003NJ6(AGN-PC-00UICR) |
| Chemical Name | 9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate , |
| EC Number | 275-549-4 |
| IUPAC Name | 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxyxanthen-3-one;sulfuric acid |
| InChI | InChI=1S/C21H17NO5.H2O4S/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21;1-5(2,3)4/h3-10,23-25H,1-2H3;(H2,1,2,3,4) |
| InChI Key | QEZUFUTYIOMXPI-UHFFFAOYSA-N |
| MDL Number | MFCD00035151 |
| Molecular Formula | C21H19NO9S |
| Molecular Weight | 461.4419 |
| SMILES | S(=O)(=O)(O)O.CN(C1=CC=C(C=C1)C=1C2=CC(=C(C=C2OC2=CC(C(=CC12)O)=O)O)O)C |
| Synonyms | 71501-19-4,
9-(4'-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate,
9-(4-(Dimethylamino)phenyl)-2,6,7-trihydroxy-3H-xanthen-3-one sulfate,
Dimethylaminophenylfluorone (so called),
D1118,
9-2,6,7-trihydroxyfluoronesulfate,
9- -2,6,7-TRIHYDROXYFLUORONESULFATE,
9-(4'-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone sulfate hydrate,
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| Complexity | 795 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 461.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 461.441g/mol |
| Monoisotopic Mass | 461.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 173A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number