CAS RN: 109552-15-0
Disodium pamidronate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260404 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS109552-15-0
- Purity/Analytical Methods: >99.0%
109552-15-0 / disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;pentahydrate
Pamidronate, Disodium Salt | Aredia | Disodium pamidronate pentahydrate
Basic Information
CAS
109552-15-0
Multi CAS
Yes
Molecular Formula
C3H19NNa2O12P2
Molecular Weight
369.110000
Exact Mass
369.017788
SMILES
C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].O.O.O.O.O.[Na+].[Na+]
InChI
InChI=1S/C3H11NO7P2.2Na.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;5*1H2/q;2*+1;;;;;/p-2
InChIKey
CZYWHNTUXNGDGR-UHFFFAOYSA-L
Synonyms
Pamidronate, Disodium Salt
Aredia
Disodium pamidronate pentahydrate
Pamidronate disodium hydrate
disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;pentahydrate
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
56.34
TPSA
324.47
LogP / Solubility
WLOGP
-13.04
MLOGP
-11.46
XLogP3
-13.04
Consensus LogP
-12.51
Log S (ESOL)
6.35
Class (ESOL)
Highly soluble
Log S (Ali)
6.83
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.29
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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