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Technical details about Calcium Oxalate Monohydrate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 5794-28-5, 24804-31-7, Calcium;oxalate;hydrate, Calcium oxalate xhydrate, 4pp86kk527, Mfcd00150039
Molecular Formula
C2H2CaO5
Molecular Weight
146.11  g/mol
InChI Key
LQHWSGSWNOHVHO-UHFFFAOYSA-L
FDA UNII
4PP86KK527

The calcium salt of oxalic acid, occurring in the urine as crystals and in certain calculi.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;oxalate;hydrate
2.1.2 InChI
InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
2.1.3 InChI Key
LQHWSGSWNOHVHO-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(=O)(C(=O)[O-])[O-].O.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
4PP86KK527
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium Oxalate

2. Calcium Oxalate (1:1)

3. Calcium Oxalate Dihydrate

4. Calcium Oxalate Dihydrate (1:1)

5. Calcium Oxalate Monohydrate (1:1)

6. Calcium Oxalate Trihydrate

7. Dihydrate, Calcium Oxalate

8. Monohydrate, Calcium Oxalate

9. Oxalate, Calcium

10. Trihydrate, Calcium Oxalate

2.3.2 Depositor-Supplied Synonyms

1. 5794-28-5

2. 24804-31-7

3. Calcium;oxalate;hydrate

4. Calcium Oxalate Xhydrate

5. 4pp86kk527

6. Mfcd00150039

7. Unii-4pp86kk527

8. N-undecylether

9. Calcarea Oxalica

10. Calciumoxalatehydrate

11. Ethanedioic Acid, Calcium Salt (1:1), Monohydrate

12. Schembl597632

13. Calcarea Oxalica [hpus]

14. Dtxsid50973513

15. Akos015916111

16. Calcium Ethanedioate--water (1/1/1)

17. Calcium Oxalate Monohydrate, Puratronic(r)

18. Ethanedioic Acid, Calcium Salt, Hydrate (1:1:1)

19. Q27260343

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 146.11 g/mol
Molecular Formula C2H2CaO5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass145.9528140 g/mol
Monoisotopic Mass145.9528140 g/mol
Topological Polar Surface Area81.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity60.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 FDA Pharmacological Classification
4.1.1 Pharmacological Classes
Calcium [CS]; Cations, Divalent [CS]; Increased Coagulation Factor Activity [PE]; Blood Coagulation Factor [EPC]
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