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2D Structure
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

2D Structure

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 Weight 346.5 g/mol
Molecular Formula C18H39AlO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass346.2663731 g/mol
Monoisotopic Mass346.2663731 g/mol
Topological Polar Surface Area28.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity225
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 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).