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Aluminum Monostearate API

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Chemistry

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Also known as: 7047-84-9, Dibasic aluminum stearate, Dihydroxyaluminum stearate, Dihydroxy(stearato)aluminium, Dihydroxy(stearato)aluminum, Dihydroxyaluminium stearate, pure

Molecular Formula

C₁₈H₃₉AlO₄

Molecular Weight

346.5 g/mol

InChI Key

OIPZNTLJVJGRCI-UHFFFAOYSA-M

Aluminium monostearate is a salt of stearic acid and aluminium with the molecular formula Al(OH)2C18H35O2. Also known as dihydroxyaluminium or dihydroxy(stearato)aluminium, it is used to form gels in the packaging of pharmaceuticals and in the preparation of colors for cosmetics. While considered safe for use, extensive usage may result in aluminum accumulation.

1 2D Structure

Aluminum Monostearate API

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+1;;/p-1

2.1.2 InChI Key

OIPZNTLJVJGRCI-UHFFFAOYSA-M

2.1.3 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)O[Al].O.O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Aluminum Tristearate

2. Ammonium Stearate

3. Calcium Stearate

4. Magnesium Stearate

5. Octadecanoic Acid

6. Sodium Stearate

7. Stearic Acid

8. Zinc Stearate

2.2.2 Depositor-Supplied Synonyms

1. 7047-84-9

2. Dibasic Aluminum Stearate

3. Dihydroxyaluminum Stearate

4. Dihydroxy(stearato)aluminium

5. Dihydroxy(stearato)aluminum

6. Dihydroxyaluminium Stearate, Pure

7. Chebi:31197

8. Ncgc00160596-02

9. Aluminum, Monostearate

10. Aluminum, Dihydroxide Stearate

11. Einecs 230-325-5

12. Aluminum, Dihydroxy(stearato)-

13. Aluminum Dihydroxide Stearate

14. Unii-p9bc99461e

15. Aluminum Dextran

16. Aluminum Monostearate [jan:nf]

17. Stearic Acid Aluminum Dihydroxide Salt

18. Aluminum, Dihydroxy(octadecanoato-kappao)-

19. Aluminum, Dihydroxy(octadecanoato-.kappa.o)-

20. Schembl4101

21. Dsstox_cid_28623

22. Dsstox_rid_82893

23. Dsstox_gsid_48697

24. Chembl3185220

25. Dtxsid9048697

26. Dihydroxido(octadecanoato)aluminium

27. Aluminum Monostearate (jp17/nf)

28. Tox21_113090

29. Akos024319334

30. Db01375

31. Ncgc00160596-01

32. Ncgc00160596-03

33. Cas-7047-84-9

34. D01867

35. F20724

36. Sr-01000945248

37. Q4119955

38. Sr-01000945248-1

39. Aluminum Monostearate, Technical, ~75% (al), Powder

2.3 Create Date

2007-08-23

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₉AlO₄
Molecular Weight	346.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Exact Mass	346.2663731 g/mol
Monoisotopic Mass	346.2663731 g/mol
Topological Polar Surface Area	28.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	225
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

4 Pharmacology and Biochemistry

4.1 Mechanism of Action

Antacids perform a neutralization reaction, ie. they buffer gastric acid, raising the pH to reduce acidity in the stomach. When gastric hydrochloric acid reaches the nerves in the gasitrointestinal mucosa, they signal pain to the central nervous system. This happens when these nerves are exposed, as in peptic ulcers. The gastric acid may also reach ulcers in the esophagus or the duodenum. Other mechanisms may contribute, such as the effect of aluminum ions inhibiting smooth muscle cell contraction and delaying gastric emptying. Aluminum is known to bind troponin C (a muscle protein) and to interfere with voltage-dependent calcium transport. Aluminum also binds to and inhibits the activity of mitochondrial voltage gated channels (VDAC).

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