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Also known as: Arketamine, D-ketamine, (r)-(+)-ketamine, (+)-ketamine, 33643-49-1, Ketamine, r-

Molecular Formula

C₁₃H₁₆ClNO

Molecular Weight

237.72 g/mol

InChI Key

YQEZLKZALYSWHR-CYBMUJFWSA-N

FDA UNII

Y2RI13H7VW

1 2D Structure

R-Ketamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

2.1.2 InChI

InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1

2.1.3 InChI Key

YQEZLKZALYSWHR-CYBMUJFWSA-N

2.1.4 Canonical SMILES

CNC1(CCCCC1=O)C2=CC=CC=C2Cl

2.1.5 Isomeric SMILES

CN[C@]1(CCCCC1=O)C2=CC=CC=C2Cl

2.2 Other Identifiers

2.2.1 UNII

Y2RI13H7VW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Arketamine

2. D-ketamine

3. (r)-(+)-ketamine

4. (+)-ketamine

5. 33643-49-1

6. Ketamine, R-

7. Ketamine, (r)-

8. Y2ri13h7vw

9. (2r)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

10. Chebi:580604

11. (2r)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone

12. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)-

13. J238.629a

14. (2r)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone

15. Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+)-

16. (s) Ketamine

17. Unii-y2ri13h7vw

18. Arketamine [who-dd]

19. Dsstox_cid_28673

20. Dsstox_rid_82943

21. Dsstox_gsid_48747

22. Schembl16104

23. Chembl467505

24. Gtpl9153

25. Dtxsid2048747

26. Pcn-101

27. Tox21_113205

28. Zinc36294079

29. Ncgc00185909-01

30. Cas-33643-49-1

31. Hr-071603

32. Q20707684

33. (2r)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one

34. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (r)-

35. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)- (9ci)

36. Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+)- (8ci)

37. Rke

2.4 Create Date

2005-06-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆ClNO
Molecular Weight	237.72 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	237.0920418 g/mol
Monoisotopic Mass	237.0920418 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1