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Technical details about Neridronate Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Neridronate sodium, Neridronate sodium salt, 80729-79-9, Neridronate monosodium, H6jvb49q0f, Neridronate, sodium salt
Molecular Formula
C6H16NNaO7P2
Molecular Weight
299.13  g/mol
InChI Key
MHYULJPRWPTMTD-UHFFFAOYSA-M
FDA UNII
H6JVB49Q0F

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(6-amino-1-hydroxy-1-phosphonohexyl)-hydroxyphosphinate
2.1.2 InChI
InChI=1S/C6H17NO7P2.Na/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14;/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14);/q;+1/p-1
2.1.3 InChI Key
MHYULJPRWPTMTD-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C(CCC(O)(P(=O)(O)O)P(=O)(O)[O-])CCN.[Na+]
2.2 Other Identifiers
2.2.1 UNII
H6JVB49Q0F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Neridronate Sodium

2. Neridronate Sodium Salt

3. 80729-79-9

4. Neridronate Monosodium

5. H6jvb49q0f

6. Neridronate, Sodium Salt

7. (6-amino-1-hydroxyhexylidene)bisphosphonic Acid, Sodium Salt

8. Sodium;(6-amino-1-hydroxy-1-phosphonohexyl)-hydroxyphosphinate

9. Sodium Hydrogen (6-amino-1-hydroxy-1-phosphonohexyl)phosphonate

10. Unii-h6jvb49q0f

11. Schembl328774

12. Neridronate Sodium [mart.]

13. Neridronate Sodium [who-dd]

14. Neridronic Acid Monosodium Salt

15. Ft-0672683

16. Neridronic Acid Monosodium Salt [mi]

17. Q27279709

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 299.13 g/mol
Molecular Formula C6H16NNaO7P2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass299.02997013 g/mol
Monoisotopic Mass299.02997013 g/mol
Topological Polar Surface Area164 Ų
Heavy Atom Count17
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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