Ibandronate

CAS Registry Number®

114084-78-5

CAS Name

Ibandronate

Molecular Formula

C9H23NO7P2

Molecular Mass

319.23

Cite this Page

Ibandronate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114084-78-5 (retrieved 2024-11-22) (CAS RN: 114084-78-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

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)

InChIKey

InChIKey=MPBVHIBUJCELCL-UHFFFAOYSA-N

SMILES

C(CCN(CCCCC)C)(P(=O)(O)O)(P(=O)(O)O)O

Canonical SMILES

O=P(O)(O)C(O)(CCN(C)CCCCC)P(=O)(O)O

Other Names for this Substance

  • Phosphonic acid, P,P′-[1-hydroxy-3-(methylpentylamino)propylidene]bis-
  • Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-
  • P,P′-[1-Hydroxy-3-(methylpentylamino)propylidene]bis[phosphonic acid]
  • [1-Hydroxy-3-(methylpentylamino)propylidene]diphosphonic acid
  • Ibandronic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration