MolPort-001-794-286

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Also known as: 145-94-8, 7-chloro-4-indanol, 7-chloro-2,3-dihydro-1h-inden-4-ol, Clorindanol, Lanesta, 1h-inden-4-ol, 7-chloro-2,3-dihydro-

Molecular Formula

C₉H₉ClO

Molecular Weight

168.62 g/mol

InChI Key

ATAJVFBUUIBIEO-UHFFFAOYSA-N

FDA UNII

7902N03BH0

1 2D Structure

MolPort-001-794-286

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-chloro-2,3-dihydro-1H-inden-4-ol

2.1.2 InChI

InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2

2.1.3 InChI Key

ATAJVFBUUIBIEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2C1)Cl)O

2.2 Other Identifiers

2.2.1 UNII

7902N03BH0

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 145-94-8

2. 7-chloro-4-indanol

3. 7-chloro-2,3-dihydro-1h-inden-4-ol

4. Clorindanol

5. Lanesta

6. 1h-inden-4-ol, 7-chloro-2,3-dihydro-

7. Chlorindanol [usan]

8. 4-indanol, 7-chloro-

9. Nsc-158565

10. Clorindanol [inn]

11. 7902n03bh0

12. Ncgc00160589-01

13. 1h-inden-4-ol, 2,3-dihydro-7-chloro- (9ci)

14. Clorindanolum

15. Clorindanolum [inn-latin]

16. Hsdb 2157

17. Nsc 158565

18. 2,3-dihydro-7-chloro-1h-inden-4-ol

19. Brn 1945696

20. Chlor-indanol

21. Unii-7902n03bh0

22. Component Of Lanesta

23. 1h-inden-4-ol, 2,3-dihydro-7-chloro-

24. Chlorindanol [mi]

25. Chlorindanol (usan/inn)

26. Chlorindanol [hsdb]

27. Clorindanol [mart.]

28. Dsstox_cid_21774

29. Dsstox_rid_79840

30. Dsstox_gsid_41774

31. 4-06-00-03828 (beilstein Handbook Reference)

32. Schembl615288

33. Zinc1122

34. Chembl1449249

35. Dtxsid5041774

36. Amy9217

37. Hy-b0999

38. Tox21_111918

39. Mfcd00021243

40. Nsc158565

41. Akos006274550

42. Ccg-213197

43. Cs-4493

44. S12133

45. Cas-145-94-8

46. Ds-14038

47. Db-049773

48. Ft-0660863

49. A25898

50. D03464

51. Ab01562993_01

52. 145c948

53. Chlorindanol;7-chloro-2,3-dihydro-1h-inden-4-ol

54. Sr-01000944179

55. Sr-01000944179-1

56. Q27266700

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₉ClO
Molecular Weight	168.62 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	168.0341926 g/mol
Monoisotopic Mass	168.0341926 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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	1

4 Drug and Medication Information

4.1 Therapeutic Uses

CHLORINDANOL PLUS LAURETH 9, IN VITRO, CAUSES IMMOBILIZATION WITHIN 20 SECONDS OF SPERMATOZOA FROM MAN.

BERBERIAN ET AL; TOXICOLOGY AND SPERMICIDAL ACTIVITY OF A NEW CONTRACEPTIVE CREAM CONTAINING CHLORINDANOL AND LAURETH 9; TOXICOL APPL PHARMACOL 7(2) 215 (1965)

4-CHLORO-7-HYDROXYINDAN CHLORINDANOL 1:2000 & 1:4000 DILUTIONS DESTROYED TRICHOMONAS VAGINALIS WITHIN 5 MIN. CHLORINDANOL CAN BE CONSIDERED AN ANTISEPTIC.

SAATHOFF M; IN VITRO EFFECT OF 4-CHLORO-7-HYDROXYINDAN ON TRICHOMONAS VAGINALIS; ARZNEIM-FORSCH 18(1) 50 (1968)

SPERMICIDE

The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 265