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2D Structure
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

2D Structure

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 Weight 237.72 g/mol
Molecular Formula C13H16ClNO
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass237.0920418 g/mol
Monoisotopic Mass237.0920418 g/mol
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

(r)-ketamine has known human metabolites that include Norketamine.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560