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Chemistry

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Also known as: Monocaprylin, Monoctanoin, 502-54-5, 26402-26-6, 1-monocaprylin, 1-octanoyl-rac-glycerol
Molecular Formula
C11H22O4
Molecular Weight
218.29  g/mol
InChI Key
GHBFNMLVSPCDGN-UHFFFAOYSA-N
FDA UNII
MCF579Z59B

Monooctanoin
Monoctanoin is used to dissolve cholesterol gallstones.
1 2D Structure

Monooctanoin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dihydroxypropyl octanoate
2.1.2 InChI
InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3
2.1.3 InChI Key
GHBFNMLVSPCDGN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCC(=O)OCC(CO)O
2.2 Other Identifiers
2.2.1 UNII
MCF579Z59B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Capmul

2. Capmul 8210

3. Glycerol-1-monooctanoate

4. Glyceryl Caprylate

5. Glyceryl Monocaprylate

6. Glyceryl-1-monooctanoate

7. Moctanin

8. Mono-octanoin

9. Monocaprylin

10. Monoctanoin

11. Monooctanoin

2.3.2 Depositor-Supplied Synonyms

1. Monocaprylin

2. Monoctanoin

3. 502-54-5

4. 26402-26-6

5. 1-monocaprylin

6. 1-octanoyl-rac-glycerol

7. Glyceryl Caprylate

8. Monooctanoin

9. Glyceryl 1-caprylate

10. Alpha-monocaprylin

11. Capmul

12. Glyceryl 1-monooctanoate

13. Moctanin

14. Glyceryl Monooctanoate

15. 1-monooctanoin

16. 1-monooctanoylglycerol

17. Octanoic Acid 1-monoglyceride

18. Dl-1-monooctanoin

19. Glycerol-1-monooctanoate

20. 1-monocapryloyl-rac-glycerol

21. Monoctanoin Component A

22. 19670-49-6

23. Glyceryl-1-caprylate

24. 1-monooctanoyl Glycerol

25. Glycerol Alpha-monooctanoate

26. Mls000028614

27. Mcf579z59b

28. Chebi:85241

29. Octanoic Acid, Monoester With 1,2,3-propanetriol

30. Ncgc00166144-02

31. Smr000058702

32. Dsstox_cid_22006

33. Dsstox_rid_82754

34. Dsstox_gsid_48383

35. Glycerin Monocaprylate

36. Octanoin, Mono-

37. Cas-502-54-5

38. Imwitor 308

39. Sunsoft 700p

40. Glycerol Monocaprylate

41. Glyceryl Monocaprylate

42. Sunsoft 700p2

43. Capmul Mcm-c 8

44. Sefsol 318

45. Octanoic Acid, 2,3-dihydroxypropyl Ester

46. Unii-tm2tzd4g4a

47. Caprylic Acid Monoglyceride

48. Poem M 100

49. Octanoic Acid, Monoester With Glycerol

50. Unii-mcf579z59b

51. Glyceryl Octanoate

52. 1-octanoylglycerol

53. Einecs 247-668-1

54. Rac-glyceryl Octanoate

55. Rac-1-octanoylglycerol

56. Opera_id_860

57. (rs)-glyceryl Octanoate

58. (+-)-glyceryl Octanoate

59. (rs)-1-octanoylglycerol

60. Rac-1-monooctanoylglycerol

61. Tm2tzd4g4a

62. (+-)-1-octanoylglycerol

63. Dsstox_rid_79900

64. Glycerol 1-octanoate

65. Dsstox_gsid_42006

66. Schembl119681

67. Chembl1570482

68. Dtxsid6048383

69. Caprylic Acid Alpha-monoglyceride

70. Chebi:84309

71. Mag 8:0

72. Rac-2,3-dihydroxypropyl Octanoate

73. Hms2234b09

74. 1-octanoyl-rac-glycerol, >=99%

75. Glycerol 1-octanoate [mi]

76. (rs)-2,3-dihydroxypropyl Octanoate

77. Tox21_112338

78. Tox21_301535

79. Mfcd00056652

80. S3499

81. (+-)-2,3-dihydroxypropyl Octanoate

82. Akos015911480

83. Tox21_112338_1

84. Cs-w013160

85. Db06801

86. Hy-w012444

87. Ncgc00166144-01

88. Ncgc00166144-03

89. Ncgc00255840-01

90. Ls-14027

91. Cas-26402-26-6

92. Db-114284

93. Ft-0765270

94. M1071

95. F17078

96. J-012717

97. Q6901490

98. (s)-3,3,3-trifluoro-2-hydroxy-2-methylpropionicacid

99. 159182-10-2

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 218.29 g/mol
Molecular Formula C11H22O4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass218.15180918 g/mol
Monoisotopic Mass218.15180918 g/mol
Topological Polar Surface Area66.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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USDMF

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Abitec Corp

U.S.A

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Abitec Corp

U.S.A
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Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 3700

Submission : 1980-01-22

Status : Active

Type : IV

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Abitec Corp

U.S.A

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02

Abitec Corp

U.S.A
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Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 17436

Submission : 2004-06-01

Status : Inactive

Type : IV

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03

Ioi Oleo Gmbh

Germany

USDMF

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03

Ioi Oleo Gmbh

Germany
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Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 35668

Submission : 2021-03-17

Status : Active

Type : IV

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JDMF

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Capmul MCM EP

Registration Number : 225MF20003

Registrant's Address : 501 West First Avenue, Columbus, Ohio 43215, USA

Initial Date of Registration : 2013-08-23

Latest Date of Registration : 2014-05-14

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