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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 532-59-2, Amylocaine hcl, Amyleine hydrochloride, (2-benzoyloxy-2-methylbutyl)dimethylammonium chloride, [1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride, 1-(dimethylaminomethyl)-1-methylpropyl benzoate hydrochloride

Molecular Formula

C₁₄H₂₂ClNO₂

Molecular Weight

271.78 g/mol

InChI Key

YCAXNWFCHTZUMD-UHFFFAOYSA-N

FDA UNII

224EF0K14Q

1 2D Structure

Amylocaine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride

2.1.2 InChI

InChI=1S/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H

2.1.3 InChI Key

YCAXNWFCHTZUMD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1.Cl

2.2 Other Identifiers

2.2.1 UNII

224EF0K14Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Amyleine

2. Amylocaine

3. Dolodent

4. Stovaine

2.3.2 Depositor-Supplied Synonyms

1. 532-59-2

2. Amylocaine Hcl

3. Amyleine Hydrochloride

4. (2-benzoyloxy-2-methylbutyl)dimethylammonium Chloride

5. [1-(dimethylamino)-2-methylbutan-2-yl] Benzoate;hydrochloride

6. 1-(dimethylaminomethyl)-1-methylpropyl Benzoate Hydrochloride

7. 224ef0k14q

8. Dsstox_cid_25320

9. Dsstox_rid_80799

10. Dsstox_gsid_45320

11. Stovaine Hydrochloride

12. Prestwick_24

13. Einecs 208-541-6

14. Unii-224ef0k14q

15. Dolodent (tn)

16. 1-(dimethylamino)-2-methyl-2-butanol Benzoate Hydrochloride

17. 2-dimethylamino-1-ethyl-1-methylethyl Benzoate Hydrochloride

18. Methylethyldimethylaminomethylcarbinol Benzoyl Ester Hydrochloride

19. Ncgc00016494-01

20. Cas-532-59-2

21. Schembl25684

22. Mls002154185

23. Chembl1718204

24. Dtxsid1045320

25. Hms1568i19

26. Tox21_110455

27. Amylocaine Hydrochloride [mi]

28. 2-butanol, 1-(dimethylamino)-2-methyl-, Benzoate, Hydrochloride

29. Tox21_110455_1

30. Ccg-220049

31. Amylocaine Hydrochloride [mart.]

32. Amylocaine Hydrochloride [who-dd]

33. Ncgc00179641-03

34. Smr001233476

35. Ft-0622377

36. D07572

37. Sr-01000841239

38. Q-200639

39. Sr-01000841239-2

40. Q27253603

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂ClNO₂
Molecular Weight	271.78 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	271.1339066 g/mol
Monoisotopic Mass	271.1339066 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2