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    Benzethonium Chloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 121-54-0, Hyamine, Phemeride, Phemerol chloride, Quatrachlor, Benzethoniumchloride
    Molecular Formula
    C27H42ClNO2
    Molecular Weight
    448.1  g/mol
    InChI Key
    UREZNYTWGJKWBI-UHFFFAOYSA-M
    FDA UNII
    PH41D05744
    Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
    2.1.2 InChI
    InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
    2.1.3 InChI Key
    UREZNYTWGJKWBI-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    PH41D05744
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bencetonium Chloride

    2. Benzethonium

    3. Chloride, Bencetonium

    4. Chloride, Benzethonium

    5. Formula Magic

    6. Hyamine 1622

    7. Magic, Formula

    8. Orchid Fresh Ii

    9. Phemeride

    10. Phemerol

    11. Phemethryn

    12. Puri Clens

    13. Puri-clens

    14. Puriclens

    15. Quatrachlor

    16. Solamin

    2.3.2 Depositor-Supplied Synonyms

    1. 121-54-0

    2. Hyamine

    3. Phemeride

    4. Phemerol Chloride

    5. Quatrachlor

    6. Benzethoniumchloride

    7. Hyamine 1622

    8. Banagerm

    9. Phemerol

    10. Phemithyn

    11. Disilyn

    12. Kylacol

    13. Diapp

    14. Polymine D

    15. Benzetonium Chloride

    16. Anti-germ 77

    17. Benzethonii Chloridum

    18. Antiseptol

    19. Cloruro De Benzetonio

    20. Inactisol

    21. Neostelin Green

    22. Chlorure De Benzethonium

    23. Sanizol

    24. Benzethonium Chloride 1622

    25. Microklenz

    26. P-tert-octylphenoxyethoxyethyldimethylbenzylammonium Chloride

    27. Nsc-20200

    28. 5929-09-9

    29. Benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride

    30. Diisobutylphenoxyethoxyethyl Dimethyl Benzyl Ammonium Chloride

    31. Diisobutylphenoxyethoxyethyldimethyl Benzyl Ammonium Chloride

    32. Chebi:31264

    33. Phemerol Chloride Monohydrate

    34. N-benzyl-n,n-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium Chloride

    35. Ph41d05744

    36. 1313-08-2

    37. Benzenemethanaminium, N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, Chloride

    38. P-diisobutyl Phenoxyethoxyethyl Dimethyl Benzylammonium Chloride

    39. (2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium Chloride

    40. Dsstox_cid_3810

    41. 121-54-0 (cl-)

    42. Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium Chloride

    43. Benzetonio Cloruro

    44. Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium Chloride

    45. Dsstox_rid_77195

    46. Dsstox_gsid_23810

    47. Benzethoni Chloridum

    48. N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium Chloride

    49. N-benzyl-n,n-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethan-1-aminium Chloride

    50. Qac

    51. P-diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium Chloride

    52. Chembl221753

    53. Rs89wu8v92

    54. Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium Chloride

    55. Benzenemethanaminium, N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, Chloride (1:1)

    56. Formula 144

    57. Nsc20200

    58. Caswell No. 614b

    59. Sr-05000001572

    60. Ncgc00016373-03

    61. Ammonium, Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, Chloride, Monohydrate

    62. Cas-121-54-0

    63. Mfcd00011742

    64. Bzt (van)

    65. Benzetonio Cloruro [dcit]

    66. Salanine

    67. Ccris 4748

    68. Hsdb 567

    69. [2-[2-(4-diisobutylphenoxy)ethoxy]ethyl]dimethylbenzylammonium Chloride

    70. {2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium Chloride

    71. Unii-ph41d05744

    72. Antiseptol (quarternary Compound)

    73. Phemersol Chloride

    74. Benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium Chloride

    75. Benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium Chloride

    76. Microklenz (tn)

    77. Benzethonii Chloridum [inn-latin]

    78. Nci-c61494

    79. Benzenemethanaminium, N,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, Chloride (1:1)

    80. N,n-dimethyl-n-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium Chloride

    81. N-benzyl-n,n-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium Chloride

    82. Prestwick_995

    83. Einecs 204-479-9

    84. Hyamine (tn)

    85. Cloruro De Benzetonio [inn-spanish]

    86. Nsc 20200

    87. Chlorure De Benzethonium [inn-french]

    88. Epa Pesticide Chemical Code 069154

    89. Neostelin Green (tn)

    90. Benzethonium Chloride [usp:inn:ban:jan]

    91. Ec 204-479-9

    92. Benzethonium Chloride, 97%

    93. Benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium Chloride

    94. Unii-rs89wu8v92

    95. Benzethonium Chloride Hydrate

    96. Schembl21713

    97. Mls002153968

    98. Spectrum1500138

    99. Dtxsid6023810

    100. Hms502g17

    101. Benzethonium Chloride [ii]

    102. Benzethonium Chloride [mi]

    103. Hms1570m17

    104. Hms1920g07

    105. Hms2091m09

    106. Hms2097m17

    107. Hms2230m22

    108. Hms3373h09

    109. Hms3652d03

    110. Hms3714m17

    111. Hms3885p07

    112. Pharmakon1600-01500138

    113. Benzethonium Chloride [inn]

    114. Benzethonium Chloride [jan]

    115. Diisobutyl Phenoxy Ethoxy Ethyl Dimethyl Benzyl Ammonium Chloride

    116. Hy-b0942

    117. Benzethonium Chloride [hsdb]

    118. Benzethonium Chloride [inci]

    119. Tox21_110403

    120. Tox21_202488

    121. Benzethonium Chloride [vandf]

    122. Ccg-39713

    123. Nsc755908

    124. P-diisobutylphenoxyethoxyethyldimethylbenzylammonium Chloride Monohydrate

    125. S4162

    126. Benzethonium Chloride [mart.]

    127. 2-(2-(p-(diisobutyl)phenoxy)ethoxy)ethyl Dimethyl Benzyl Ammonium Chloride

    128. Akos005287417

    129. Benzethonium Chloride [usp-rs]

    130. Benzethonium Chloride [who-dd]

    131. Tox21_110403_1

    132. Nsc-755908

    133. Ammonium, Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, Chloride

    134. Benzethonium Chloride (jp17/usp/inn)

    135. Ncgc00016373-08

    136. Ncgc00091528-01

    137. Ncgc00091528-02

    138. Ncgc00094597-01

    139. Ncgc00094597-02

    140. Ncgc00094597-03

    141. Ncgc00094597-04

    142. Ncgc00260037-01

    143. As-14646

    144. Smr001233307

    145. Benzethonium Chloride [ep Impurity]

    146. Benzethonium Chloride [ep Monograph]

    147. Benzethonium Chloride [usp Impurity]

    148. Db-053360

    149. B0044

    150. Ft-0622657

    151. Ft-0635910

    152. Hyamine(r) 1622 Solution, 4 Mm In H2o

    153. Sw197077-3

    154. A13653

    155. Benzethonium Chloride, Tested According To Usp

    156. D01140

    157. N11901

    158. Benzethonium Chloride 1000 Microg/ml In Methanol

    159. Benzethonium Chloride, Bioultra, >=99.0% (at)

    160. Q425119

    161. J-200196

    162. Sr-05000001572-1

    163. Sr-05000001572-3

    164. Benzethonium Chloride Concentrate [usp Monograph]

    165. F2173-1223

    166. Z1317839149

    167. Benzethonium Chloride, >=97% (titration), >=98% (hplc)

    168. [diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium Chloride

    169. P-diisobutylphenoxyethoxyethyl Dimethyl Benzyl Ammonium Chloride

    170. [[(diisobutyl)phenoxyethoxyethyl]dimethylbenzyl]ammonium Chloride

    171. [[(diisobutylphenoxy)ethoxy]ethyl] Dimethyl Benzyl Ammonium Chloride

    172. Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, Chloride

    173. Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-,chloride

    174. Benzethonium Chloride, European Pharmacopoeia (ep) Reference Standard

    175. Benzethonium Chloride, United States Pharmacopeia (usp) Reference Standard

    176. Benzethonium Chloride, Pharmaceutical Secondary Standard; Certified Reference Material

    177. Benzyldimethyl-[[[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium Chloride

    178. Benzyldimethyl[2-[2-[4-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium Chloride

    179. Benzyldimethyl[2-[2-[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium Chloride

    180. Wln: 1x1 & 1 & 1x1 & 1 & R Do2o2k1 & 1 & 1r & Q & G

    181. Benzenemethanaminium, N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- Ethyl)-, Chloride

    182. Benzenemethanaminium, N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, Chloride, Monohydrate

    183. Benzenemethanaminium,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, Chloride

    184. N,n-dimethyl-n-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- Ethyl)benzenemethanaminium Chloride

    185. N-benzyl-n,n-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminiumchloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 448.1 g/mol
    Molecular Formula C27H42ClNO2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count12
    Exact Mass447.2904073 g/mol
    Monoisotopic Mass447.2904073 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity466
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents, Local

    Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Amides [CS]; Antiarrhythmic [EPC]; Local Anesthesia [PE]; Amide Local Anesthetic [EPC]
    4.3 ATC Code

    D - Dermatologicals

    D08 - Antiseptics and disinfectants

    D08A - Antiseptics and disinfectants

    D08AJ - Quaternary ammonium compounds

    D08AJ08 - Benzethonium chloride

    4.4 Absorption, Distribution and Excretion

    PERCUTANEOUS ABSORPTION IS PROBABLY INSIGNIFICANT. /BENZALKONIUM CHLORIDE/

    Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-280