Analyte Name

(3S,5R)-5-((S)-8-Fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate Sodium Salt

Molecular Formula

C22 H27 F N3 Na O6 S

Molecular Weight

503.519

Accurate Mass

503.15

SMILES

CC(C)c1nc(nc2c1C[C@H]([C@H](O)C[C@H](O)CC(=O)O[Na])c3cc(F)ccc23)N(C)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O6S.Na/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32;/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30);/q;+1/p-1/t13-,16-,18+;/m0./s1

IUPAC

[(3S,5R)-5-[(6S)-8-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-yl-5,6-dihydrobenzo[h]quinazolin-6-yl]-3,5-dihydroxypentanoyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat