Analyte Name

(4-(((6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino(2,1-c)(1,2,4)triazin-6-yl)methyl)phenyl) dihydrogen phosphate

CAS Number

1422253-38-0

Molecular Formula

C33 H35 N6 O7 P

Molecular Weight

658.641

Accurate Mass

658.23

SMILES

C[C@H]1[C@H]2N([C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N1Cc4cccc5cccnc45)C(=O)CN(C)N2C(=O)NCc6ccccc6

InChI

InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1

IUPAC

[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat