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CAS 17814-85-6
PharmaCompass
CAS 17814-85-6
Also known as: 17814-85-6, Nsc 147756, Phosphonium, (4-carboxybutyl)triphenyl-, bromide, 4-carboxybutyl triphenylphosphonium bromide, (4-carboxybutyl)triphenylphosphanium bromide, Carboxybutyltriphenylphosphonium bromide
Molecular Formula
C23H24BrO2P
Molecular Weight
443.321  g/mol
InChI Key
MLOSJPZSZWUDSK-UHFFFAOYSA-N

1 2D Structure

CAS 17814-85-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-carboxybutyl(triphenyl)phosphanium;bromide
2.1.2 InChI
InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
2.1.3 InChI Key
MLOSJPZSZWUDSK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17814-85-6

2. Nsc 147756

3. Phosphonium, (4-carboxybutyl)triphenyl-, Bromide

4. 4-carboxybutyl Triphenylphosphonium Bromide

5. (4-carboxybutyl)triphenylphosphanium Bromide

6. Carboxybutyltriphenylphosphonium Bromide

7. 5-(triphenylphosphonio)pentanoic Acid Bromide

8. Mfcd00011906

9. Ak-33771

10. 4-(carboxybutyl)triphenylphosphonium Bromide

11. (4-carboxybutyl)-triphenylphosphonium Bromide

12. Triphenyl(4-carboxybutyl)phosphonium Bromide

13. J-501381

14. Nsc147756

15. (4-carboxybutyl)triphenyl Phosphonium Bromide

16. (5-hydroxy-5-oxopentyl)-triphenylphosphanium Bromide

17. (4-carboxybutyl)(triphenyl)phosphonium Bromide

18. Einecs 241-782-5

19. Pubchem11049

20. Ac1l4p1p

21. Ac1q1rg8

22. Dsstox_cid_31458

23. Dsstox_rid_97344

24. Dsstox_gsid_57669

25. Ksc494i5n

26. Schembl163452

27. Chembl3250674

28. Dtxsid6057669

29. Ctk3j4456

30. Ks-00000czt

31. Mlosjpzszwudsk-uhfffaoysa-n

32. Molport-005-942-459

33. Cs-b1768

34. Zx-at021968

35. Tox21_113895

36. Anw-22923

37. Rw2195

38. Akos015888431

39. Cc-1794

40. Gc10172

41. Nsc-147756

42. Or10636

43. Rl02275

44. Rtr-035949

45. Tra0026943

46. 4-carboxybutyltriphenylphosphonium Bromide

47. Ncgc00261975-01

48. An-16355

49. As-15678

50. Bc003575

51. Cc-00649

52. Kb-01755

53. Or008718

54. Q236

55. Sc-17529

56. (4-carboxybutyl)triphenylphosphoniumbromide

57. 4-carboxybutyl-triphenylphosphonium Bromide

58. 4-carboxybutyl-triphenylphosphonium-bromide

59. 4-carboxybutyltriphenyl Phosphonium Bromide

60. 4-carboxybutyltriphenyl-phosphonium Bromide

61. 4-carboxybutyl(triphenyl)phosphonium Bromide

62. 4-carboxybutyl-triphenyl-phosphonium Bromide

63. Ab0005489

64. Ax8001577

65. Cas-17814-85-6

66. Db-027158

67. Tr-035949

68. (4-carboxybutyl) Triphenylphosphonium Bromide

69. (4-carboxybutyl)triphenyl-phosphonium Bromide

70. Ft-0617958

71. Ft-0617959

72. St24026269

73. St50406703

74. Triphenyl (4-carboxybutyl)phosphonium Bromide

75. Triphenyl-(4-carboxybutyl)-phosphonium Bromide

76. (4-carboxy Butyl) Triphenyl Phosphonium Bromide

77. (4-carboxy-butyl)-triphenyl-phosphonium Bromide

78. K-5467

79. (4-carboxy-butyl)-triphenyl-phosphonium; Bromide

80. 33609-ep2311820a1

81. 4-hydroxycarbonylbutyl-triphenylphosphonium Bromide

82. C-22395

83. I01-1021

84. Phosphonium,(4-carboxybutyl)triphenyl-bromide

85. (4-carboxybutyl)triphenylphosphonium Bromide, 98% 25g

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 443.321 g/mol
Molecular Formula C23H24BrO2P
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass442.07 g/mol
Monoisotopic Mass442.07 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count27
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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