Ibandronate Sodium Monohydrate

Analyte Name

Ibandronate Sodium Monohydrate

CAS Number

138926-19-9

Molecular Formula

C9 H22 N O7 P2 . Na . H2 O

Molecular Weight

359.23

Accurate Mass

359.0875

SMILES

O.[Na+].CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17), 1H2/q, /p-1, , +1, InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17,

IUPAC

sodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate;hydrate

Alternate CAS Number

Free acid: 114084-78-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Ibandronate Sodium

Purity

>95% (HPLC)