1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate

2.1.2 InChI

InChI=1S/C5H15NO7P2.2Na/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-2

2.1.3 InChI Key

JFGHPLSPUGOSLV-UHFFFAOYSA-L

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

G90M9V9GMQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Sodium Olpadronate

2. G90m9v9gmq

3. 121368-58-9

4. Dimethyl Apd

5. Ig-8801

6. Unii-g90m9v9gmq

7. Ig 8801

8. Disodium (3-(dimethylamino)-1-hydroxypropylidene)bisphosphate

9. Olpadronate Disodium [mart.]

10. Phosphoric Acid, (3-(dimethylamino)-1-hydroxypropylidene)bis-, Disodium Salt

11. (3-(dimethylamino)-1-hydroxypropylidene)diphosphonic Acid, Disodium Salt

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₃NNa₂O₇P₂
Molecular Weight	307.09 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	306.99626431 g/mol
Monoisotopic Mass	306.99626431 g/mol
Topological Polar Surface Area	144 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Olpadronate Disodium