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Chemical structure of Alendronic acid-d6

GC63951

Alendronic acid-d6

Also known as (4-amino-2,2,3,3,4,4-hexadeuterio-1-hydroxy-1-phosphonobutyl)phosphonic acid

Alendronic acid-d6 is the deuterium labeled Alendronic acid· Alendronic acid, a bisphosphonate, is a farnesyl diphosphate synthase (FDPS) inhibitor· Alendronic acid inhibits osteoclast-mediated bone resorption· Alendronic acid shows efficacy in postmenopausal osteoporosis, malignant hypercalcemia and Paget’s disease

ChemicalCAS1035437-39-8MW255.13FormulaC4H7D6NO7P2
CAS number
1035437-39-8
Molecular weight
255.13
Formula
C4H7D6NO7P2
InChIKey
OGSPWJRAVKPPFI-NMFSSPJFSA-N
Catalogue number
GC63951
Brand
GLPBIO
Computed properties PubChem CID 42601640 · XLogP -6.5 · TPSA 161 Ų · H-bond donors 6
XLogP
-6.5
TPSA
161 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
14

SMILES [2H]C([2H])(C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O)C([2H])([2H])N

Computed descriptors from PubChem (CID 42601640), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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