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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Organidin, 5634-39-9, Iodopropylidene glycerol, Glycerol, iodinated, 2-(1-iodoethyl)-1,3-dioxolane-4-methanol, [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol

Molecular Formula

C₆H₁₁IO₃

Molecular Weight

258.05 g/mol

InChI Key

LTINPJMVDKPJJI-UHFFFAOYSA-N

FDA UNII

34ON63CCO3

1 2D Structure

Iodinated Glycerol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol

2.1.2 InChI

InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3

2.1.3 InChI Key

LTINPJMVDKPJJI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1OCC(O1)CO)I

2.2 Other Identifiers

2.2.1 UNII

34ON63CCO3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Glycerol, Iodinated

2. Iodopropylidene Glycerol

3. Mucantil

4. Organidin

2.3.2 Depositor-Supplied Synonyms

1. Organidin

2. 5634-39-9

3. Iodopropylidene Glycerol

4. Glycerol, Iodinated

5. 2-(1-iodoethyl)-1,3-dioxolane-4-methanol

6. [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol

7. 2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol

8. 1,3-dioxolane-4-methanol, 2-(1-iodoethyl)-

9. 34on63cco3

10. (2-(1-iodoethyl)-1,3-dioxolan-4-yl)methanol

11. Iodinated Glycerol B

12. Glycyrrhiza

13. Ccris 2378

14. Hsdb 4185

15. Glycerol, Iodinated [usan:ban]

16. Nci-c55469

17. Einecs 227-079-6

18. Unii-34on63cco3

19. Schembl19693

20. Iodinated Glycerol [mi]

21. Chembl2105827

22. Dtxsid1023152

23. Chebi:135062

24. 1,3-dioxolane, 4-(hydroxymethyl)-2-(1-iodoethyl)-

25. Q15633261

26. 2-(1-iodoethyl)-1,3-dioxolane-4-methanol [hsdb]

27. 2-(1-iodoethyl)-1,3-dioxolane-4-methanol, (+/-)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁IO₃
Molecular Weight	258.05 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	257.97529 g/mol
Monoisotopic Mass	257.97529 g/mol
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Therapeutic Uses

Expectorants

National Library of Medicine's Medical Subject Headings online file (MeSH, 1999)

...IT IS CLAIMED TO HAVE EXPECTORANT ACTIONS OF IODINE & GLYCERIN & DOES NOT CAUSE GASTRIC IRRITATION OR RELEASE INORGANIC IODINE BEFORE ABSORPTION.

American Medical Association, AMA Department of Drugs, AMA Drug Evaluations. 3rd ed. Littleton, Massachusetts: PSG Publishing Co., Inc., 1977., p. 658

4.2 Drug Warning

EFFICACY OF IODINATED GLYCERIN IS QUESTIONABLE... SENSITIVITY REACTIONS OCCUR OCCASIONALLY. THEREFORE, IODINATED GLYCERIN IS CONTRAINDICATED IN PT WHO ARE SENSITIVE TO IODINE.

American Medical Association, AMA Department of Drugs, AMA Drug Evaluations. 3rd ed. Littleton, Massachusetts: PSG Publishing Co., Inc., 1977., p. 658

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