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Chemistry

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Also known as: 822-16-2, Sodium octadecanoate, Octadecanoic acid, sodium salt, Flexichem b, Stearates, Sodiumstearate

Molecular Formula

C₁₈H₃₅NaO₂

Molecular Weight

306.5 g/mol

InChI Key

RYYKJJJTJZKILX-UHFFFAOYSA-M

FDA UNII

QU7E2XA9TG

1 2D Structure

Sodiumstearate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;octadecanoate

2.1.2 InChI

InChI=1S/C18H36O2.Na/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);/q;+1/p-1

2.1.3 InChI Key

RYYKJJJTJZKILX-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

QU7E2XA9TG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aluminum Monostearate

2. Aluminum Tristearate

3. Ammonium Stearate

4. Calcium Stearate

5. Magnesium Stearate

6. Octadecanoic Acid

7. Stearic Acid

8. Zinc Stearate

2.3.2 Depositor-Supplied Synonyms

1. 822-16-2

2. Sodium Octadecanoate

3. Octadecanoic Acid, Sodium Salt

4. Flexichem B

5. Stearates

6. Sodiumstearate

7. Stearic Acid, Sodium Salt

8. Sodium;octadecanoate

9. Prodhygine

10. Bonderlube 235

11. Edenor Fhti

12. Nonsoul Sn 15

13. Sodium Stearate [nf]

14. Qu7e2xa9tg

15. Rhenogran Nast 50acmf-ge1858

16. Sodium Stearate (nf)

17. Stearic Acid Sodium Salt

18. Sodium Stearate, Pure

19. Hsdb 5759

20. Einecs 212-490-5

21. Unii-qu7e2xa9tg

22. Mfcd00036404

23. Ai3-19808

24. Sodium Palmitostearate

25. Octadecanoic Acid, Sodium Salt (1:1)

26. Prifer 1634

27. Rashayan Sodium Stearate

28. Schembl5773

29. Sodium Stearate [ii]

30. Sodium Stearate [mi]

31. Sodium Stearate [hsdb]

32. Sodium Stearate [inci]

33. Sodium Stearate (a Mixture Of Stearate And Palmitate)

34. Sodium Stearate [vandf]

35. Chembl1906423

36. Dtxsid9027318

37. Sodium Stearate [mart.]

38. Sodium Stearate [who-dd]

39. Chebi:132109

40. Akos028109686

41. Ncgc00164255-01

42. As-15926

43. E-470(i)stearic Acid, Sodium Salt

44. Cs-0152212

45. Ins-470(i)stearic Acid, Sodium Salt

46. D05875

47. D92227

48. Ins No.470(i)stearic Acid, Sodium Salt

49. A806549

50. A840275

51. Q420066

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₅NaO₂
Molecular Weight	306.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	306.25347464 g/mol
Monoisotopic Mass	306.25347464 g/mol
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	207
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	2

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

SEE SOAPS: 2. 2= SLIGHTLY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 5-15 G/KG, BETWEEN 1 PINT & 1 QUART FOR 70 KG PERSON (150 LB). /SOAPS/

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-179

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