Acrisorcin

Synopsis, Chemistry

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Also known as: Akrinol, 7527-91-5, Sch 7056, 1,3-benzenediol, 4-hexyl-, compd. with 9-acridinamine (1:1), Nsc-758691, 4-hexylresorcinol compound with 9-aminoacridine (1:1)

Molecular Formula

C₂₅H₂₈N₂O₂

Molecular Weight

388.5 g/mol

InChI Key

YZODJQFXMFEJRM-UHFFFAOYSA-N

FDA UNII

2U918O4BEV

Acrisorcin is a topical anti-fungal agent. Acrisorcin is comprised of two active ingredients, 9-aminoacridine and 4-hexylresorcinol, but its clinical use has been discontinued.

1 2D Structure

Acrisorcin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acridin-9-amine;4-hexylbenzene-1,3-diol

2.1.2 InChI

InChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3

2.1.3 InChI Key

YZODJQFXMFEJRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N

2.2 Other Identifiers

2.2.1 UNII

2U918O4BEV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Akrinol

2. 7527-91-5

3. Sch 7056

4. 1,3-benzenediol, 4-hexyl-, Compd. With 9-acridinamine (1:1)

5. Nsc-758691

6. 4-hexylresorcinol Compound With 9-aminoacridine (1:1)

7. 2u918o4bev

8. Acrosorcin; Akrinol; Sch 7056

9. Sch-7056

10. Acrisorcina

11. Acrisorcinum

12. Acrisorcinum [inn-latin]

13. Acrisorcina [inn-spanish]

14. Einecs 231-389-7

15. Unii-2u918o4bev

16. Acrisorcin [usan:usp:inn]

17. Bis(9-aminoacridinium)salz Des Hexylresorcine

18. Bis(9-aminoacridinium 4-hexyl-1,3-resorcindiolat

19. Akrinol (tn)

20. 9-aminoacridine Compd. With 4-hexylresorcinol (1:1)

21. Spectrum_000107

22. Acrisorcin [mi]

23. Specplus_000886

24. Acrisorcin [inn]

25. Acrisorcin (usan/inn)

26. Spectrum2_001107

27. Spectrum3_001213

28. Spectrum4_000625

29. Spectrum5_001392

30. Acrisorcin [usan]

31. Acrisorcin [mart.]

32. Bspbio_002626

33. Kbiogr_001210

34. Kbioss_000547

35. Divk1c_006982

36. Schembl148836

37. Spectrum1504218

38. Spbio_001214

39. Acrisorcin [orange Book]

40. Chembl1201038

41. Kbio1_001926

42. Kbio2_000547

43. Kbio2_003115

44. Kbio2_005683

45. Kbio3_002126

46. Dtxsid10226234

47. Hms1922h03

48. Hms2093c18

49. Pharmakon1600-01504218

50. Ccg-40100

51. Nsc758691

52. Nsc 758691

53. Ncgc00095115-01

54. Ncgc00095115-02

55. Ncgc00095115-03

56. Acridin-9-amine;4-hexylbenzene-1,3-diol

57. Sbi-0052753.p002

58. D02759

59. Ab00053836_02

60. Sr-05000001975

61. Q4675133

62. Sr-05000001975-1

63. Brd-m49658242-001-02-5

64. Brd-m49658242-001-03-3

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₈N₂O₂
Molecular Weight	388.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	388.215078140 g/mol
Monoisotopic Mass	388.215078140 g/mol
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2