Analyte Name

Resorufin beta-D-Glucuronide Sodium Salt

CAS Number

125440-91-7

Molecular Formula

C18H14NNaO9

Molecular Weight

411.29

Accurate Mass

411.06

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]

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/t13-,14-,15+,16-,18+;/m0./s1

IUPAC

sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((3-oxo-3H-phenoxazin-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate

Alternate CAS Number

free acid: 145588-66-5

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat