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Chemistry

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Also known as: 55779-18-5, 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-amine, Arpocox, Arprinocide, 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine, 9-(2-chloro-6-fluorobenzyl)adenine
Molecular Formula
C12H9ClFN5
Molecular Weight
277.68  g/mol
InChI Key
NAPNOSFRRMHNBJ-UHFFFAOYSA-N
FDA UNII
6A0XTA8ZUH

Arprinocid
1 2D Structure

Arprinocid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine
2.1.2 InChI
InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
2.1.3 InChI Key
NAPNOSFRRMHNBJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F
2.2 Other Identifiers
2.2.1 UNII
6A0XTA8ZUH
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 9-(2-chloro-6-fluorobenzyl)adenine

2. Arpocox

3. Ici 123487

4. Ici-123487

5. Mk 302

6. Mk-302

2.3.2 Depositor-Supplied Synonyms

1. 55779-18-5

2. 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-amine

3. Arpocox

4. Arprinocide

5. 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine

6. 9-(2-chloro-6-fluorobenzyl)adenine

7. 6a0xta8zuh

8. 6-amino-9-(2-chloro-6-fluorobenzyl)purine

9. 9-[(2-chloro-6-fluorophenyl)methyl]-9h-purin-6-amine

10. 9h-purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-

11. 9h-purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-

12. Arprinocida

13. Arprinocidum

14. Arprinocide [inn-french]

15. Arprinocidum [inn-latin]

16. Arprinocida [inn-spanish]

17. Mk 302

18. 9-(2-chlor-6-fluorbenzyl)adenin

19. Einecs 259-817-8

20. Unii-6a0xta8zuh

21. Arprinocid [usan:inn:ban]

22. Arpocox Pom

23. Arpocox (tn)

24. Mk-302

25. Arprinocid [mi]

26. Arprinocid [inn]

27. Arprinocid (usan/inn)

28. Arprinocid [usan]

29. Arprinocid [mart.]

30. Dsstox_cid_31562

31. Dsstox_rid_97447

32. Dsstox_gsid_57773

33. Zinc969

34. Schembl126655

35. 9-[(2-chloro-6-fluoro-phenyl)methyl]purin-6-amine

36. 9-(2-chloro-6-fluorophenylmethyl)-9h-purine-6-amine

37. Chembl321993

38. Dtxsid3057773

39. Chebi:182830

40. Tox21_113931

41. Mfcd00867210

42. Akos007930173

43. Ds-4653

44. Ncgc00262938-01

45. Ac-10137

46. Cas-55779-18-5

47. Db-052793

48. Cs-0157021

49. Ft-0602862

50. C75620

51. D02987

52. 779a185

53. 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-ylamine

54. 9-[(2-chloro-6-luorophenyl)methyl]purin-6-amine

55. A830804

56. Sr-01000944987

57. Q4795760

58. Sr-01000944987-1

59. 9h-purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-?

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 277.68 g/mol
Molecular Formula C12H9ClFN5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass277.0530512 g/mol
Monoisotopic Mass277.0530512 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Coccidiostats

Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)


Anthelmintics

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)


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