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Iofetamine 123I

Iofetamine 123I

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Also known as: 85068-76-4, (sup 123)i labeled imp, Iofetamine hydrochloride i-123, (sup 123)i-m123, Iofetamine (123 i) hcl, R5o1xb5l3m

Molecular Formula

C₁₂H₁₉ClIN

Molecular Weight

335.64 g/mol

InChI Key

AFLDFEASYWNJGX-FOHXBPHZSA-N

FDA UNII

R5O1XB5L3M

An amphetamine analog that is rapidly taken up by the lungs and from there redistributed primarily to the brain and liver. It is used in brain radionuclide scanning with I-123.

1 2D Structure

Iofetamine 123I

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-(123I)iodanylphenyl)-N-propan-2-ylpropan-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C12H18IN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H/i13-4;

2.1.3 InChI Key

AFLDFEASYWNJGX-FOHXBPHZSA-N

2.1.4 Canonical SMILES

CC(C)NC(C)CC1=CC=C(C=C1)I.Cl

2.1.5 Isomeric SMILES

CC(C)NC(C)CC1=CC=C(C=C1)[123I].Cl

2.2 Other Identifiers

2.2.1 UNII

R5O1XB5L3M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydrochloride, I-123 Iofetamine

2. I-123 Iofetamine Hydrochloride

3. I-123, Iofetamine

4. Iodine 123 Imp

5. Iodine-123-imp

6. Iofetamine

7. Iofetamine Hydrochloride, I 123

8. Iofetamine Hydrochloride, I-123

9. Iofetamine I 123

10. Iofetamine I-123

11. N Isopropyl P Iodoamphetamine

12. N-isopropyl-p-(iodine-123)-iodoamphetamine

13. N-isopropyl-p-iodoamphetamine

14. N-isopropyl-p-iodoamphetamine (i123) Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 85068-76-4

2. (sup 123)i Labeled Imp

3. Iofetamine Hydrochloride I-123

4. (sup 123)i-m123

5. Iofetamine (123 I) Hcl

6. R5o1xb5l3m

7. Iofetamine Hydrochloride I 123 [usan]

8. Iofetamine I 123 Hydrochloride

9. Iofetamine Hydrochloride, I-123

10. Iofetamine (123 I) Hydrochloride

11. N-isopropyl-p-iodoamphetamine ((sup 123)i) Hydrochloride

12. Iodine Iofetamine (123i)

13. 1-(4-(123i)iodanylphenyl)-n-propan-2-ylpropan-2-amine;hydrochloride

14. Iofetamine Hydrochloride I 123 (usan)

15. Iofetamine Hcl I 123

16. 123i-m123

17. Unii-r5o1xb5l3m

18. Spectamine

19. Spectamine (tn)

20. 123i Labeled Imp

21. Iofetamine I123 Hydrochloride

22. Chembl1200360

23. Niosh/da0300000

24. Dtxsid401027502

25. Moli000983

26. ((sup 123)i)(+-)-n-isopropyl-p-iodoamphetamine Hydrochloride

27. (+-)-p-iodo-(sup 123)i-n-isopropyl-alpha-methylphenethylamine Hydrochloride

28. Da03000000

29. Iofetamine I 123 Hydrochloride [mi]

30. M-123

31. Ro-23-1507/001

32. D01570

33. N-isopropyl-p-iodoamphetamine(123i) Hydrochloride

34. Iofetamine (123 I) Hydrochloride [who-dd]

35. N-isopropyl-p-iodoamphetamine (123i) Hydrochloride

36. N-isopropyl-p-iodoamphetamine(i-123) Hydrochloride

37. Iofetamine Hydrochloride I-123 [orange Book]

38. Q27287824

39. N-isopropyl-p-iodoamphetamine (123i) Hydrochloride (jan)

40. N-isopropyl-p-iodoamphetamine(123i) Hydrochloride [jan]

41. ((sup 123)i)(+/-)-n-isopropyl-p-iodoamphetamine Hydrochloride

42. Benzeneethanamine, P-iodo(i-123)-n-isopropyl-alpha-methyl-, Hydrochloride

43. P-iodo(i-123)-n-isopropyl-alpha-methylbenzeneethanamine Hydrochloride

44. (+/-)-p-iodo-(sup 123)i-n-isopropyl-.alpha.-methylphenethylamine Hydrochloride

45. Benzeneethanamine, 4-(iodo-(sup 123)i)-.alpha.-methyl-n-(1-methylethyl)-, Hydrochloride, (+/-)-

46. Benzeneethanamine, 4-(iodo-(sup 123)i)-alpha-methyl-n-(1-methylethyl)-, Hydrochloride, (+-)-

47. Benzeneethanamine, 4-(iodo-123i)-.alpha.-methyl-n-(1-methylethyl)-, Hydrochloride (1:1)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉ClIN
Molecular Weight	335.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	335.02619 g/mol
Monoisotopic Mass	335.02619 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	150
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Radiopharmaceuticals

Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)

4.2 ATC Code

V - Various

V09 - Diagnostic radiopharmaceuticals

V09A - Central nervous system

V09AB - Iodine (123i) compounds

V09AB01 - Iodine iofetamine (123I)