Ibandronic Acid-13Cd3

Analyte Name

Ibandronate-13C,D3 (N-methyl-13C,D3)

CAS Number

1261734-84-2

Molecular Formula

13C C8 D3 H20 N O7 P2

Molecular Weight

323.24

Accurate Mass

323.117

SMILES

[2H][13C]([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/i2+1D3

IUPAC

[1-hydroxy-3-[pentyl(trideuterio(1^{13}C)methyl)amino]-1-phosphonopropyl]phosphonic acid

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat