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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1592-23-0, Octadecanoic acid, calcium salt, Calcium octadecanoate, Calcium distearate, Calstar, Stearic acid calcium salt

Molecular Formula

C₃₆H₇₀CaO₄

Molecular Weight

607.0 g/mol

InChI Key

CJZGTCYPCWQAJB-UHFFFAOYSA-L

FDA UNII

776XM7047L

1 2D Structure

Calcium Stearate API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;octadecanoate

2.1.2 InChI

InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

2.1.3 InChI Key

CJZGTCYPCWQAJB-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

776XM7047L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aluminum Monostearate

2. Aluminum Tristearate

3. Ammonium Stearate

4. Magnesium Stearate

5. Octadecanoic Acid

6. Sodium Stearate

7. Stearic Acid

8. Zinc Stearate

2.3.2 Depositor-Supplied Synonyms

1. 1592-23-0

2. Octadecanoic Acid, Calcium Salt

3. Calcium Octadecanoate

4. Calcium Distearate

5. Calstar

6. Stearic Acid Calcium Salt

7. Stearic Acid, Calcium Salt

8. Stearates

9. 66071-81-6

10. Calcium Dioctadecanoate

11. Flexichem

12. Hydrogenated Tallow Fatty Acids Calcium Salts

13. Mfcd00036390

14. 776xm7047l

15. Aquacal

16. Flexichem Cs

17. Stavinor 30

18. Calcium Bis(stearate)

19. Nopcote C 104

20. Witco G 339s

21. Calcium Stearate [jan]

22. Calcium;octadecanoate

23. Hsdb 905

24. Calcium Distearate, Pure

25. Einecs 216-472-8

26. G 339s

27. G 339 S

28. Calcium Stearate [jan:nf]

29. Ai3-01335

30. Unii-776xm7047l

31. Einecs 266-106-6

32. Stearic Acid Calcium

33. Calcium Stearate Tcg

34. Calcium Stearate Tcp

35. Calcium Stearate Powder

36. Octadecanoic Acid, Calcium Salt (2:1)

37. Lubimax Calcium Stearate

38. Aulabrite Ca 65

39. Rashayan Calcium Stearate

40. Calcium Stearate H-nrml

41. Calcium Stearate Nf/fcc

42. Hydrogenated Tallow Fatty Acids, Calcium Salt

43. Stavinor Cecavon Ca

44. Baerlocher 5862

45. Tallow Fatty Acids, Hydrogenated, Calcium Salt

46. Schembl2371

47. Fatty Acids, Tallow, Hydrogenated, Calcium Salt

48. Fatty Acids, Tallow, Hydrogenated, Calcium Salts

49. Calcium Stearate [ii]

50. Calcium Stearate [mi]

51. Calcium Stearate (jp17/nf)

52. Calcium Stearate [fcc]

53. Calcium Stearate [hsdb]

54. Calcium Stearate [inci]

55. Calcium Stearate [vandf]

56. Chembl2106092

57. Dtxsid7027419

58. Nissan Calcium Stearate S

59. Calcium Stearate [mart.]

60. Calcium Stearate [who-dd]

61. Calcium Stearate [who-ip]

62. Chebi:190296

63. Calcium Stearate (technical Grade)

64. Akos015915024

65. Calcii Stearas [who-ip Latin]

66. Calcium Octadecanoate [who-ip]

67. Calcium Stearate [ep Monograph]

68. Calcium Octadecanoate, Calcium Distearate

69. Db-023015

70. E-470(i)stearic Acid, Calcium Salt

71. Fatty Acids,tallow,hydrogenated,calcium Salts

72. Ft-0623411

73. S0236

74. Ins-470(i)stearic Acid, Calcium Salt

75. D03310

76. Fatty Acids, Tallow,hydrogenated, Calcium Salts

77. A810010

78. Ins No.470(i)stearic Acid, Calcium Salt

79. Q423318

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₇₀CaO₄
Molecular Weight	607.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	30
Exact Mass	606.4900016 g/mol
Monoisotopic Mass	606.4900016 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	196
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