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Etidronate

CAT: 0957-S1857-02Size: 1 gDry Ice: YesHazardous: No
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Description
Etidronate is a non-aminobisphosphonate, show protein tyrosine phosphatase (PTP) inhibitory activity, used for the treatment of Paget's disease and the prevention of heterotopic ossification.
CAS Number
2809-21-4
Target
Phosphatase
Activity
Metabolism
Molecular Formula
C2H8O7P2
Storage Conditions
2 years -80 in solvent

Chemical Information

Etidronic Acid

Etidronic acid is a 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces. It has a role as an antineoplastic agent, a chelator and a bone density conservation agent. It is a conjugate acid of an etidronic acid(2-).

CAS Number2809-21-4
PubChem CID3305
IUPAC Name(1-hydroxy-1-phosphonoethyl)phosphonic acid
Molecular FormulaC2H8O7P2
Molecular Weight206.03
XLogP-3.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity211
SMILES
CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey
DBVJJBKOTRCVKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etidronic Acid
CAS: 2809-21-4
CID: 3305
Formula: C2H8O7P2
MW: 206.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.03
XLogP3-3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass205.97452659
Monoisotopic Mass205.97452659
Topological Polar Surface Area135 Ų
Heavy Atom Count11
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1752-5000Etidronate
MBS384874-01Etidronate (Didronel)
MBS3605827-01Sodium etidronate
275534-01Etidronate disodium

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