Analyte Name

Nedocromil-d3 Sodium

Molecular Formula

C19 D3 H12 N Na2 O7

Molecular Weight

418.323

Accurate Mass

418.083

SMILES

[2H]C1=C(Oc2c(CCC)c3N(CC)C(=C([2H])C(=O)c3c([2H])c2C1=O)C(=O)O[Na])C(=O)O[Na]

InChI

InChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2/i6D,7D,8D;;

IUPAC

(3,5,7-trideuterio-9-ethyl-4,6-dioxo-10-propyl-2-sodiooxycarbonylpyrano[3,2-g]quinoline-8-carbonyl)oxysodium

Unlabelled CAS Number

69049-74-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat