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ACTIVE PHARMA INGREDIENTS

4 API Suppliers, 3 EU WC, 1 NDC API, 1 Listed Suppliers, $ API Reference Price

4 API Suppliers
3 EU WC
1 NDC API
1 Listed Suppliers
$ API Reference Price

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 Canada

1 FDF Dossiers
1 Canada

Synopsis

ACTIVE PHARMA INGREDIENTS

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API REF. PRICE (USD/KG)

$ 164

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DRUG PRODUCT COMPOSITIONS

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USP

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PATENTS & EXCLUSIVITIES

US Patents

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Health Canada Patents

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Chemistry

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Also known as: 552-22-7, Iodothymol, Iodistol, Iodohydromol, Annidalin, Aristol

Molecular Formula

C₂₀H₂₄I₂O₂

Molecular Weight

550.2 g/mol

InChI Key

SHOKWSLXDAIZPP-UHFFFAOYSA-N

FDA UNII

A51HJM3XSU

1 2D Structure

Thymol Iodide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite

2.1.2 InChI

InChI=1S/C20H24I2O2/c1-11(2)15-9-17(13(5)7-19(15)23-21)18-10-16(12(3)4)20(24-22)8-14(18)6/h7-12H,1-6H3

2.1.3 InChI Key

SHOKWSLXDAIZPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)OI)C(C)C)C(C)C)OI

2.2 Other Identifiers

2.2.1 UNII

A51HJM3XSU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 552-22-7

2. Iodothymol

3. Iodistol

4. Iodohydromol

5. Annidalin

6. Aristol

7. Iodosol

8. Iothymol

9. Lothymol

10. Thymiode

11. Thymiodol

12. Thymodin

13. Thymotol

14. Iosol

15. Thymoliodide

16. [4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] Hypoiodite

17. A51hjm3xsu

18. 5,5'-diisopropyl-2,2'-dimethylbiphenyl-4,4'-diyl Dihypoiodite

19. Nsc-2222

20. Ncgc00159504-02

21. 1,1'-biphenyl, 4,4'-bis(iodooxy)-2,2'-dimethyl-5, 5'-bis(1-methylethyl)-

22. 4,4'-bis(iodooxy)-2,2'-dimethyl-5,5'-bis(1-methylethyl-1,1'-biphenyl

23. Dsstox_cid_26081

24. Dsstox_rid_81323

25. Dsstox_gsid_46081

26. Diiododithymol

27. Bithymol Diiodide

28. Dithymol Diiodide

29. Cas-552-22-7

30. Iodothymol (van)

31. Thymol Iodide [nf]

32. Unii-a51hjm3xsu

33. Thymol-iodide

34. Hsdb 867

35. Nsc 2222

36. Einecs 209-007-5

37. Thymol Iodide [hsdb]

38. Schembl467308

39. Thymol Iodide [vandf]

40. Thymol Iodide [who-dd]

41. Chembl1482931

42. Dtxsid3046081

43. Nsc2222

44. Hy-b1796

45. Zinc4217551

46. Tox21_111723

47. Akos024319269

48. Tox21_111723_1

49. 4,4'-bis(i4,4'-bodooxy)-2,2'-dimethyl-5,5'-bis(1-methylethyl-1,1'-biphenyl

50. Hypoiodous Acid, 2,2'-dimethyl-5,5'-bis(1-methylethyl)(1,1'-biphenyl)-4,4'-diyl Ester

51. Ncgc00159504-03

52. Ncgc00159504-04

53. Thymol Iodide Or Dithymol Diiodide

54. Bs-28664

55. Cs-0013832

56. Sr-01000883682

57. Sr-01000883682-1

58. Q27273640

59. 1, 4,4'-bis(iodooxy)-2,2'-dimethyl-5,5'-bis(1-methylethyl)-

60. 4'-(iodooxy)-2,2'-dimethyl-5,5'-bis(propan-2-yl)-[1,1'-biphenyl]-4-yl Hypoiodite

61. Hypoiodous Acid,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl Ester

62. Hypoiodous Acid, I,i'-(2,2'-dimethyl-5,5'-bis(1-methylethyl)(1,1'-biphenyl)-4,4'-diyl) Ester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄I₂O₂
Molecular Weight	550.2 g/mol
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	549.98658 g/mol
Monoisotopic Mass	549.98658 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	352
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	1

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN), BETWEEN 1 OUNCE & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB). /IODIDE SALTS/

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-78

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