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ACTIVE PHARMA INGREDIENTS

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11 Drugs in Development

11 Drugs in Development

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Chemistry

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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

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

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Seqens

France

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Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

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R-Ketamine

About the Company : Since its inception in 2003, Seqens has grown to become a global leader in pharmaceutical solutions and specialty ingredients. Seqens supports its customers in developing, scaling ...

Since its inception in 2003, Seqens has grown to become a global leader in pharmaceutical solutions and specialty ingredients. Seqens supports its customers in developing, scaling up and manufacturing drug substances from the pre-clinical phase to the commercial phase. It offers a large portfolio of APIs and proprietary products. Seqens also develops custom solutions and ingredients for the most demanding industries, such as healthcare, electronics and cosmetics. Its unique range of technologies enables it to manufacture complex molecules for small- and large-scale demands. It operates 24 industrial plants and 10 R&D centres across the globe.