Tropacocaine

Formula: C₁₅H₁₉NO₂
Molecular weight: 245.3169
IUPAC Standard InChI: InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
IUPAC Standard InChIKey: XQJMXPAEFMWDOZ-UHFFFAOYSA-N
CAS Registry Number: 537-26-8
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- 3α-Benzoyloxytropane
Other names: 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate, exo-; 1α-H,5α-H-Tropan-3β-ol, benzoate; Benzilate of pseudotropanol; Benzoylpseudotropeine; Benzoylpseudotropine; Benzoyl-psi-tropeine; o-Benzoyltropine; exo-8-Methyl-8-azabicyclo(3.2.1)-octan-3-ol benzoate; Pseudotropanol benzilate; Pseudotropine benzoate; Tropacaine; Tropacocain; psi-Tropine benzoate; 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester), exo-; ψ-Tropine benzoate; Pseudotropine, benzoate (ester)
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Other data available:
- Mass spectrum (electron ionization)
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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	220.	1974.	Mari, Bertol, et al., 1984	Anakrom ABS; Column length: 2. m
Packed	SE-30	260.	1940.	Mari, Bertol, et al., 1984	Anakrom ABS; 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	1965.	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

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Packed	OV-1	1930.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 2.5 K/min; Column length: 2. m; T_start: 120. C; T_end: 200. C
Packed	SE-30	1950.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 2.5 K/min; Column length: 2. m; T_start: 120. C; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Other	Methyl Silicone	1952.	Ardrey and Moffat, 1981	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Mari, Bertol, et al., 1984
Mari, F.; Bertol, E.; Tosti, M., Benzoyltropeine, an unusual substance in street heroin samples, Bull. Narc., 1984, 1, 59-67. [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]

Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F., Use of the retention index in gas chromatographic studies of drugs, J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185 . [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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