4-​(4-​Amino-​3-​fluorophenoxy)​pyridine-​2-​carboxamide

Analyte Name

4-(4-Amino-3-fluorophenoxy)pyridine-2-carboxamide

CAS Number

757251-54-0

Molecular Formula

C16 H17 O11 S . Na

Molecular Weight

440.354

Accurate Mass

440.039

SMILES

[Na+].CC1=CC(=O)Oc2cc(O[C@@H]3OC(COS(=O)(=O)[O-])[C@H](O)C(O)C3O)ccc12

InChI

InChI=1S/C16H18O11S.Na/c1-7-4-12(17)26-10-5-8(2-3-9(7)10)25-16-15(20)14(19)13(18)11(27-16)6-24-28(21,22)23;/h2-5,11,13-16,18-20H,6H2,1H3,(H,21,22,23);/q;+1/p-1/t11?,13-,14?,15?,16+;/m0./s1

IUPAC

sodium;[(3R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl sulfate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat