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Obidoxime Chloride

Obidoxime Chloride

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Also known as: Obidoxime, 114-90-9, Obidoxime dichloride, Obidoxim, Obidoxime (dichloride), 3hxr312z9m

Molecular Formula

C₁₄H₁₆Cl₂N₄O₃

Molecular Weight

359.2 g/mol

InChI Key

ZIFJVJZWVSPZLE-UHFFFAOYSA-N

FDA UNII

3HXR312Z9M

Cholinesterase reactivator occurring in two interchangeable isomeric forms, syn and anti.

1 2D Structure

Obidoxime Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;dichloride

2.1.2 InChI

InChI=1S/C14H14N4O3.2ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;;/h1-10H,11-12H2;2*1H

2.1.3 InChI Key

ZIFJVJZWVSPZLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C[N+](=CC=C1C=NO)COC[N+]2=CC=C(C=C2)C=NO.[Cl-].[Cl-]

2.1.5 Isomeric SMILES

C1=C[N+](=CC=C1/C=N/O)COC[N+]2=CC=C(C=C2)/C=N/O.[Cl-].[Cl-]

2.2 Other Identifiers

2.2.1 UNII

3HXR312Z9M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Chloride, Obidoxime

2. Obidoxim

3. Obidoxime

4. Toxogonin

2.3.2 Depositor-Supplied Synonyms

1. Obidoxime

2. 114-90-9

3. Obidoxime Dichloride

4. Obidoxim

5. Obidoxime (dichloride)

6. 3hxr312z9m

7. Toksobidin

8. Toxogonine

9. 1,1'-(oxydimethylene)bis(4-formylpyridinium) Dichloride Dioxime

10. Nsc-757237

11. Obidoxime Chloride (usan)

12. Pyridinium, 1,1'-(oxybis(methylene))bis(4-(hydroxyimino)methyl)-, Dichloride

13. Luh(sub 6)

14. Obidoxime Hydrochloride

15. Obidoxime Chloride [usan]

16. Luh6

17. Lueh 6

18. Obidoximi Chloridum

19. Obidoxime Dihydrochloride

20. Toxogonin Dichloride

21. Chlorure D'obidoxime

22. Cloruro De Obidoxima

23. Obidoxime Chloride [usan:inn]

24. Obidoximi Chloridum [inn-latin]

25. Chlorure D'obidoxime [inn-french]

26. Cloruro De Obidoxima [inn-spanish]

27. Einecs 204-059-5

28. Unii-3hxr312z9m

29. Obidoximchlorid

30. Bis(isonicotinaldoxime 1-methyl) Ether Dichloride

31. 1,3-bis(4-aldoximinopyridinium) Dimethyl Ether Bichloride

32. N,n-dimethyleneoxidebis(pyridinium-4-aldoxime) Dichloride

33. Bis(4-hydroxyiminomethylpyridinium-1-methyl)ether Dichloride

34. 1,1'-(oxybis(methylene))bis(4-((hydroxyimino)methyl)pyridin-1-ium) Chloride

35. 1,1'-(oxydimethylene)bis(4-formylpyridinium) Dioxime Dichloride

36. 1,1'-(oxydimethylene)bis(4-formylpyridinium)dichloride Dioxime

37. 1,3-bis(4-hydroxyiminomethyl-1-pyridinio)-2-oxapropane Dichloride

38. N,n-dimethylenoxid-bis-(pyridinium-4-aldoxim)-dichlorid [german]

39. Ether Bis-14-hydroxy-iminomethylopyridine-(1)-metylodichloride [polish]

40. 1,1'-(oxybis(methylene))bis(4-(hydroxyimino)methyl)pyridinium Dichloride

41. Obidoxime Chloride [mi]

42. N,n-dimethylenoxid-bis-(pyridinium-4-aldoxim)-dichlorid

43. Obidoxime Chloride [inn]

44. Obidoxime Chloride [mart.]

45. Ether Bis-14-hydroxy-iminomethylopyridine-(1)-metylodichloride

46. Obidoxime Chloride [who-dd]

47. Mfcd00038864

48. Pyridinium, 1,1'-(oxydimethylene)bis(4-formyl-, Dichloride, Dioxime

49. Akos025397238

50. Akos030241577

51. Cs-w011824

52. Hy-w011108

53. Nsc 757237

54. Obidoxime Chloride, >=95.0% (hplc)

55. D05215

56. Obidoxime Chloride, Analytical Reference Material

57. J-003154

58. 1,1'-(oxybis(methylene))bis(4-((hydroxyimino)methyl)pyridin-1-ium)chloride

59. 1,1'[oxybis(methylene)]-bis[4-(hydroxyimino)methyl]pyridinium Dichloride

60. Pyridinium, 1,1'-[oxybis(methylene)]bis[4-[(hydroxyimino)methyl]-, Chloride (1:2)

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆Cl₂N₄O₃
Molecular Weight	359.2 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	358.0599458 g/mol
Monoisotopic Mass	358.0599458 g/mol
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cholinesterase Reactivators

Drugs used to reverse the inactivation of cholinesterase caused by organophosphates or sulfonates. They are an important component of therapy in agricultural, industrial, and military poisonings by organophosphates and sulfonates. (See all compounds classified as Cholinesterase Reactivators.)

4.2 ATC Code

V - Various

V03 - All other therapeutic products

V03A - All other therapeutic products

V03AB - Antidotes

V03AB13 - Obidoxime