| CAS Number | 125440-91-7 |
| Catalog Number | AG009B6S(AGN-PC-00US0A) |
| Chemical Name | 3-PHENOXAZONE 7-[BETA-D-GLUCURONIDE] SODIUM SALT |
| IUPAC Name | sodium;3,4,5-trihydroxy-6-(7-oxophenoxazin-3-yl)oxyoxane-2-carboxylate |
| InChI | InChI=1S/C18H15NO9.Na/c20-7-1-3-9-11(5-7)27-12-6-8(2-4-10(12)19-9)26-18-15(23)13(21)14(22)16(28-18)17(24)25;/h1-6,13-16,18,21-23H,(H,24,25);/q;+1/p-1 |
| InChI Key | HOMUZGTVOQHXNU-UHFFFAOYSA-M |
| MDL Number | MFCD00079545 |
| Molecular Formula | C18H15NNaO9 |
| Molecular Weight | 412.3028 |
| SMILES | O(C=1C=C2C(N=C3C(O2)=CC(=O)C=C3)=CC1)[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O.[Na] |
| Synonyms | 125440-91-7,
DTXSID50657568,
RESORUFIN beta-D-GLUCURONIDE,
3-Phenoxazone 7-(|A-D-glucuronide),
AKOS030212808,
Resorufin |A-D-glucuronide sodium salt,
Resorufin-beta-D-glucuronide sodium salt,
3-Phenoxazone 7-[ beta-D -glucuronide],
Resorufin-I(2)-D-glucuronide sodium salt,
Sodium 3-oxo-3H-phenoxazin-7-yl hexopyranosiduronate,
3-PHENOXAZONE 7-[beta-D-GLUCURONIDE] SODIUM SALT,
|
| Complexity | 766 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.298g/mol |
| Monoisotopic Mass | 411.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number