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Benzyltrimethylammonium Chloride

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Synopsis

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Chemistry

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Also known as: 56-93-9, N,n,n-trimethyl-1-phenylmethanaminium chloride, Benzyl trimethyl ammonium chloride, Benzyl(trimethyl)azanium;chloride, Benzenemethanaminium, n,n,n-trimethyl-, chloride, Benzyltrimethyl ammonium chloride

Molecular Formula

C₁₀H₁₆ClN

Molecular Weight

185.69 g/mol

InChI Key

KXHPPCXNWTUNSB-UHFFFAOYSA-M

FDA UNII

VNK45Y7BA1

1 2D Structure

Benzyltrimethylammonium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl(trimethyl)azanium;chloride

2.1.2 InChI

InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1

2.1.3 InChI Key

KXHPPCXNWTUNSB-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

VNK45Y7BA1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzyltrimethylammonium

2. Benzyltrimethylammonium Acetate

3. Benzyltrimethylammonium Bromide

4. Benzyltrimethylammonium Butanoate

5. Benzyltrimethylammonium Carbonate (2:1)

6. Benzyltrimethylammonium Formate

7. Benzyltrimethylammonium Heptanoate

8. Benzyltrimethylammonium Hexafluorophosphate (1-)

9. Benzyltrimethylammonium Hexanoate

10. Benzyltrimethylammonium Hydroxide

11. Benzyltrimethylammonium Iodide

12. Benzyltrimethylammonium Methoxide

13. Benzyltrimethylammonium Nonanoate

14. Benzyltrimethylammonium Octanoate

15. Benzyltrimethylammonium Pentanoate

16. Benzyltrimethylammonium Propanoate

2.3.2 Depositor-Supplied Synonyms

1. 56-93-9

2. N,n,n-trimethyl-1-phenylmethanaminium Chloride

3. Benzyl Trimethyl Ammonium Chloride

4. Benzyl(trimethyl)azanium;chloride

5. Benzenemethanaminium, N,n,n-trimethyl-, Chloride

6. Benzyltrimethyl Ammonium Chloride

7. Trimethylbenzylammonium Chloride

8. Benzyl Trimethylammonium Chloride

9. Ammonium, Benzyltrimethyl-, Chloride

10. Vnk45y7ba1

11. Mls000069800

12. N,n,n-trimethyl(phenyl)methanaminium Chloride

13. Tmbac

14. Smr000059199

15. Dsstox_cid_4600

16. Dsstox_rid_77464

17. Dsstox_gsid_24600

18. Benzenemethanaminium, N,n,n-trimethyl-, Chloride (1:1)

19. Cas-56-93-9

20. Ccris 4587

21. Hsdb 4196

22. Einecs 200-300-3

23. Mfcd00011782

24. Unii-vnk45y7ba1

25. Benzyltrimethylazanium Chloride

26. N,n,n-trimethylbenzenemethanaminium Chloride

27. Trimethylbenzyl Ammonium Chloride

28. Hipochem Migrator J

29. Opera_id_418

30. Ec 200-300-3

31. Variquat B 200

32. Schembl2548

33. Benzyltrimethylamonium Chloride

34. Btmac 100

35. Benzyltrimethylarnmonium Chloride

36. Benzyl-trimethylammonium Chloride

37. Benzyltrimethyl-ammonium Chloride

38. Trimethyl-benzylammonium Chloride

39. Benzyl-trimethyl-azanium Chloride

40. Chembl1372143

41. Dtxsid8024600

42. Benzyl-trimethyl Ammonium Chloride

43. Benzyl-trimethyl-ammonium Chloride

44. N-benzyltrimethylammonium Chloride

45. Hms2232j08

46. Hms3371a05

47. Bcp24461

48. Tox21_201587

49. Tox21_303260

50. Akos001098667

51. Jc10026

52. Trimethyl-(phenylmethyl)azanium Chloride

53. Ncgc00090720-01

54. Ncgc00090720-02

55. Ncgc00257093-01

56. Ncgc00259136-01

57. Trimethyl-(phenylmethyl)ammonium Chloride

58. As-11734

59. Db-050364

60. B0447

61. Cs-0019417

62. Ft-0622785

63. N,n,n-trimethyl-1-phenylmethanaminiumchloride

64. Trimethylbenzylammonium Chloride [hsdb]

65. Benzyltrimethylammonium Chloride (x% In Water)

66. D72531

67. N-benzyl-n,n,n-trimethylammonium Chloride

68. A831246

69. W-105497

70. Q22829137

71. F8880-1007

72. Benzyltrimethylammonium Chloride Solution Technical, ~60% In H2o

73. Benzyltrimethylammonium Chloride, 60% Aqueous Solution

74. Benzyltrimethylammonium Chloride, 60%???aqueous Solution

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆ClN
Molecular Weight	185.69 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	185.0971272 g/mol
Monoisotopic Mass	185.0971272 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	107
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

Surface-Active Agents

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

4.2 Mechanism of Action

IT DECR THE RESTING MEMBRANE POTENTIALS & BLOCKED ACTION POTENTIAL OF BOTH INNERVATED & DENERVATED MUSCLES. BTM MAY HAVE DUAL MECHANISM OF ACTION, A DEPOLARIZING TYPE & A BLOCKING ACTION WHICH IS DOSE DEPENDENT.

PMID:5087397 DRETCHEN ET AL; J PHARMACOL EXP THER 178 (1): 192 (1971)

ACETYLCHOLINE-LIKE AGONIST ACTIVITY ON CAT SUPERIOR CERVICAL GANGLION IN VIVO & FROG RECTUS ABDOMINIS IN VITRO WAS STUDIED. BENZYLTRIMETHYLAMMONIUM WAS MORE ACTIVE THAN ACETYLCHOLINE AS GANGLION STIMULANT.

PMID:5639098 HAMILTON JT, RUBINSTEIN HM; J PHARMACOL EXP THER 160 (1): 112 (1968)

IT WAS TESTED FOR MUSCARINIC ACTIVITY RELATIVE TO ACETYLCHOLINE DURING NONDEPOLARIZING BLOCKAGE DUE TO NICOTINE 1.2 MG/MIN IV & WAS FOUND TO BE MORE ACTIVE THAN ACETYLCHOLINE. IT IS CAPABLE OF STIMULATING BOTH NICOTINIC & MUSCARINIC RECEPTORS.

PMID:5639098 HAMILTON JT, RUBINSTEIN HM; J PHARMACOL EXP THER 160 (1): 112 (1968)

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