Ketamine

Formula: C₁₃H₁₆ClNO
Molecular weight: 237.725
IUPAC Standard 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
IUPAC Standard InChIKey: YQEZLKZALYSWHR-UHFFFAOYSA-N
CAS Registry Number: 100477-72-3
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- Ketamine
Other names: Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-; CI 581 base; CLSTA 20; Ketaject; Ketalar base; 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone; (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone; (.+/-.)-Ketamine; dl-Ketamine; NSC 70151
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	SE-30	180.	1820.	Musumarra, Scarlata, et al., 1987	N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1861.	Christ, Noomano, et al., 1988	30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; T_start: 160. C
Capillary	CBP-1	1805.	Oyama, Sano, et al., 1987	N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; T_start: 120. C; T_end: 250. C
Packed	SE-30	1830.	Perrigo and Peel, 1981	N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Other	Methyl Silicone	1843.	Ardrey and Moffat, 1981	Program: not specified

References

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Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [all data]

Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K., Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices, Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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