(T-4)-Bis(acetato-κO)[1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-(oxo-κO)-3-quinolinecarboxylato-κO3]boron-13C,D3

Analyte Name

(T-4)-Bis(acetato-kO)[1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-(oxo-kO)-3-quinolinecarboxylato-kO3]boron-13C,D3

Molecular Formula

13C C24 D3 H26 B3 F N3 O8

Molecular Weight

554.956

Accurate Mass

555.246

SMILES

[2H][13C]([2H])([2H])Oc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C5=[O][B](=B[B+])([O-]C(=O)C)([O-][C-](=O)C)[O-]C(=O)C5=CN(C6CC6)c14

InChI

InChI=1S/C25H29B3FN3O8/c1-13(33)37-28(27-26,38-14(2)34)39-23-17-9-19(29)22(31-10-15-5-4-8-30-20(15)12-31)24(36-3)21(17)32(16-6-7-16)11-18(23)25(35)40-28/h9,11,15-16,20,30H,4-8,10,12H2,1-3H3/q-3/t15-,20+/m0/s1/i3+1D3

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat