DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

3 FDF Dossiers, 3 Europe

3 FDF Dossiers
3 Europe

GLOBAL SALES INFORMATION

3 Finished Drug Prices

globalSalesInformation
3 Finished Drug Prices

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 37693-01-9, Octofene, Clofoctol [inn], Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol, 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol, Nsc-758389

Molecular Formula

C₂₁H₂₆Cl₂O

Molecular Weight

365.3 g/mol

InChI Key

HQVZOORKDNCGCK-UHFFFAOYSA-N

FDA UNII

704083NI0R

Clofoctol is a bacteriostatic antibiotic with activity against Gram-positive bacteria. Clofoctol is used in the treatment of upper and lower respiratory tract infections.

1 2D Structure

Clofoctol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2.1.2 InChI

InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3

2.1.3 InChI Key

HQVZOORKDNCGCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

704083NI0R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

2. Octofene

3. Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-

2.3.2 Depositor-Supplied Synonyms

1. 37693-01-9

2. Octofene

3. Clofoctol [inn]

4. Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

5. 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

6. Nsc-758389

7. 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol

8. Clofoctol (inn)

9. Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-

10. 704083ni0r

11. Ncgc00095016-01

12. Clofoctolum

13. 2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol

14. Dsstox_cid_25889

15. Dsstox_rid_81203

16. Dsstox_gsid_45889

17. 2-[2,4-dichlorobenzyl]-4-[1,1,3,3-tetramethylbutyl]phenol

18. .alpha.-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

19. Clofoctolum [inn-latin]

20. Einecs 253-632-6

21. Cas-37693-01-9

22. Brn 2478182

23. Gramplus

24. Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-

25. Unii-704083ni0r

26. Octofene (tn)

27. Spectrum_001533

28. Clofoctol [mi]

29. Spectrum2_001533

30. Spectrum3_001565

31. Spectrum4_000161

32. Spectrum5_001082

33. Clofoctol [mart.]

34. Clofoctol [who-dd]

35. Bspbio_003070

36. Kbiogr_000641

37. Kbioss_002013

38. Mls002207309

39. Clofoctol, Analytical Standard

40. Divk1c_000426

41. Schembl147809

42. Spectrum1503206

43. Spbio_001346

44. Chembl1476605

45. Dtxsid5045889

46. Hms501f08

47. Kbio1_000426

48. Kbio2_002013

49. Kbio2_004581

50. Kbio2_007149

51. Kbio3_002570

52. Chebi:108581

53. Ninds_000426

54. Glxc-25630

55. Hms1922i09

56. Pharmakon1600-01503206

57. 2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

58. Hy-b1150

59. Zinc2149829

60. Tox21_111389

61. Ccg-39311

62. Nsc758389

63. Akos024374914

64. Tox21_111389_1

65. Cs-4755

66. Db13237

67. Nsc 758389

68. Idi1_000426

69. Ncgc00095016-02

70. Ncgc00095016-03

71. Ncgc00095016-05

72. Smr001306814

73. Sbi-0051786.p002

74. Ft-0704662

75. Sw220062-1

76. D07244

77. Ab00052326_04

78. Ab00052326_05

79. Sr-01000872766

80. Q3680895

81. Sr-01000872766-1

82. Brd-k02900412-001-04-8

83. Brd-k02900412-001-05-5

84. Brd-k02900412-001-07-1

85. 2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol #

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆Cl₂O
Molecular Weight	365.3 g/mol
XLogP3	8.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	364.1360708 g/mol
Monoisotopic Mass	364.1360708 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	401
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