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FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 FDA Orange Book

1 FDF Dossiers
1 FDA Orange Book

Synopsis

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Chemistry

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Also known as: 532-76-3, Hexylcaine hcl, Hexylcaine hydrochloride (1 g), Hexylcaine (hydrochloride), V00nq7sdyi, 1-(cyclohexylamino)propan-2-yl benzoate;hydrochloride

Molecular Formula

C₁₆H₂₄ClNO₂

Molecular Weight

297.82 g/mol

InChI Key

MTFCPNHRBINLRQ-UHFFFAOYSA-N

FDA UNII

V00NQ7SDYI

1 2D Structure

Hexylcaine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(cyclohexylamino)propan-2-yl benzoate;hydrochloride

2.1.2 InChI

InChI=1S/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H

2.1.3 InChI Key

MTFCPNHRBINLRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

V00NQ7SDYI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hexylcaine

2.3.2 Depositor-Supplied Synonyms

1. 532-76-3

2. Hexylcaine Hcl

3. Hexylcaine Hydrochloride (1 G)

4. Hexylcaine (hydrochloride)

5. V00nq7sdyi

6. 1-(cyclohexylamino)propan-2-yl Benzoate;hydrochloride

7. 1-(cyclohexylamino)-2-propanol Benzoate (ester) Hydrochloride

8. 2-propanol, 1-(cyclohexylamino)-, Benzoate (ester), Hydrochloride

9. Dsstox_cid_25321

10. Dsstox_rid_80800

11. Dsstox_gsid_45321

12. Cyclaine; Cyclaine Hydrochloride; Hexylcaine Hydrochloride

13. Einecs 208-544-2

14. Unii-v00nq7sdyi

15. Hexylcaine Hydrochloride [usp]

16. D 109

17. Cyclaine (tn)

18. Ncgc00016495-01

19. Benzoic Acid, (2-(cyclohexylamino)-1-methyl)ethyl Ester, Hydrochloride

20. Cas-532-76-3

21. (2-(benzoyloxy)propyl)cyclohexylammonium Chloride

22. Schembl24192

23. Mls002154000

24. 1-(cyclohexylamino)propan-2-yl Benzoate Hydrochloride

25. Chembl1200715

26. Dtxsid6045321

27. Hms1570m18

28. Tox21_110456

29. Hexylcaine Hydrochloride [mi]

30. Tox21_110456_1

31. Ccg-220788

32. Hexylcaine Hydrochloride [mart.]

33. Hexylcaine Hydrochloride [who-dd]

34. Ncgc00179382-03

35. Smr001233331

36. Hexylcaine Hydrochloride [orange Book]

37. D02454

38. Sr-01000841236

39. Sr-01000841236-2

40. Q27291360

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄ClNO₂
Molecular Weight	297.82 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	297.1495567 g/mol
Monoisotopic Mass	297.1495567 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	268
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