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CAS 146-77-0
PharmaCompass
CAS 146-77-0
Also known as: 146-77-0, 6-amino-2-chloropurine riboside, Adenosine, 2-chloro-, Cl-ado, 2-chloroadenosinehemihydrate, 2-chloro adenosine
Molecular Formula
C10H12ClN5O4
Molecular Weight
301.687  g/mol
InChI Key
BIXYYZIIJIXVFW-UUOKFMHZSA-N
FDA UNII
7W7ZUG45G8

2-Chloroadenosine. A metabolically stable analog of adenosine which acts as an adenosine receptor agonist. The compound has a potent effect on the peripheral and central nervous system.
1 2D Structure

CAS 146-77-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
2.1.2 InChI
InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
2.1.3 InChI Key
BIXYYZIIJIXVFW-UUOKFMHZSA-N
2.1.4 Canonical SMILES
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl
2.1.5 Isomeric SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)Cl
2.2 Other Identifiers
2.2.1 UNII
7W7ZUG45G8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 146-77-0

2. 6-amino-2-chloropurine Riboside

3. Adenosine, 2-chloro-

4. Cl-ado

5. 2-chloroadenosinehemihydrate

6. 2-chloro Adenosine

7. 2cl-ado

8. Cado

9. Einecs 205-678-3

10. Nsc 36896

11. 2 Clado

12. Brn 0043957

13. Mls000028365

14. Chembl285819

15. 2-cado

16. Bixyyziijixvfw-uuokfmhzsa-n

17. Mfcd00005734

18. (2r,3r,4s,5r)-2-(6-amino-2-chloro-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

19. 103090-47-7

20. Ak-49403

21. Smr000058612

22. 2 Chloroadenosine

23. (2r,3r,4s,5r)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

24. (2r,3r,4s,5r)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

25. 5-chloroformycin A

26. Unii-7w7zug45g8

27. 2-chloroado

28. 2-ci Adenosine

29. 2-chloro-adenosine

30. 2-chloro[3h]adenosine

31. Pubchem14159

32. Opera_id_460

33. D0c2uj

34. Ac1l1s1s

35. Ambap146-77-0

36. Regid_for_cid_8974

37. Gtpl372

38. 4-26-00-03725 (beilstein Handbook Reference)

39. Ksc177q0t

40. Mls001424176

41. Mls002153284

42. Schembl104094

43. 7w7zug45g8

44. Jsp002712

45. 2-(6-amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol

46. Ctk0h7809

47. Chebi:125640

48. Molport-003-928-215

49. Hms2051b22

50. Hms2235k11

51. Ks-00000nb1

52. Zinc3875976

53. Anw-47074

54. Bdbm50009525

55. Pdsp1_000569

56. Pdsp1_000999

57. Pdsp1_001209

58. Pdsp2_000567

59. Pdsp2_000983

60. Pdsp2_001193

61. Akos015896917

62. Akos015995296

63. Am83941

64. Ccg-101063

65. Cs-w008344

66. Nc00313

67. Rl01849

68. Rtx-011768

69. Ncgc00021540-03

70. Ncgc00021540-04

71. Ncgc00021540-05

72. Ncgc00021540-06

73. Aj-46476

74. An-14534

75. As-12085

76. Br-49403

77. Cc-10171

78. Cj-11031

79. Cpd000058612

80. Kb-44588

81. Ls-15106

82. Nu004667

83. Sam001246886

84. 2-chloro-9-(beta-d-ribofuranosyl)adenine

85. Ab0066073

86. Ab1007209

87. Ax8008046

88. Db-005234

89. St2409923

90. Tl8001029

91. Ft-0601308

92. Ft-0689532

93. M-1270

94. 146c770

95. C-18836

96. 2-[6-amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol

2.4 Create Date
2005-06-29
3 Chemical and Physical Properties
Molecular Weight 301.687 g/mol
Molecular Formula C10H12ClN5O4
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass301.058 g/mol
Monoisotopic Mass301.058 g/mol
Topological Polar Surface Area140 A^2
Heavy Atom Count20
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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