5-Hydroxy Dantrolene Glucuronide

Analyte Name

5-Hydroxy Dantrolene Glucuronide

Molecular Formula

C21 H20 N4 O11

Molecular Weight

504.404

Accurate Mass

504.113

SMILES

O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O)C(=O)O)OC2N(\N=C\c3oc(cc3)c4ccc(cc4)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C21H20N4O11/c26-15-12(20(30)31)7-14(16(27)17(15)28)36-19-18(29)23-21(32)24(19)22-8-11-5-6-13(35-11)9-1-3-10(4-2-9)25(33)34/h1-6,8,12,14-17,19,26-28H,7H2,(H,30,31)(H,23,29,32)/b22-8+/t12-,14+,15+,16-,17-,19?/m0/s1

IUPAC

(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-[3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-4-yl]oxycyclohexane-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat