Chlorprothixene
- Formula: C18H18ClS
- Molecular weight: 301.854
- IUPAC Standard InChIKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-N
- CAS Registry Number: 113-59-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-; Thioxanthene-Δ9,γ-propylamine, 2-chloro-N,N-dimethyl-, (Z)-; α-Chlorprothixene; cis-Chlorprothixene; Chlorprothixen; Chlorprotixen; Chlorprotixene; Chlothixen; CPT; CPX; Iaractan; MK 184; N 714; Paxyl; Rentovet; Ro 4-0403; Tactaran; Taractan; Tarasan; Traquilan; Trictal; Truxal; Truxil; Vetacalm; (Z)-2-Chloro-N,N-dimethylthioxanthene-Δ9,γ-propylamine; Chloroprothixene; N 714C; Thioxanthene-Δ9, γ-propylamine, 2-chloro-N,N-dimethyl-; 2-Chloro-N,N-dimethylthioxanthene-Δ9,γ-propylamine; 2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, (Z)-; cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene; Truxaletten; Chlorprothixine; 9H-Thioxanthene, 1-propanamine deriv.; Tardan; Ro-4-04033
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 370.3 | K | N/A | Chauvet and Masse, 1983 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.649 | 370.3 | N/A | Domalski and Hearing, 1996 | AC |
6.6491 | 370.3 | N/A | Chauvet and Masse, 1983, 2 | DH |
6.91 | 370.5 | DTA | Masse and Chauvet, 1983 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
17.9 | 370.3 | Chauvet and Masse, 1983, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
7.68 ± 0.03 | CTS | Fulton and Lyons, 1968 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Patti Price, Georgia Bureau of Investigation, Decatur, Georgia |
NIST MS number | 247780 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 | 240. | 2481. | 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 2452. | Oyama, Sano, et al., 1987 | N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C |
Capillary | SE-30 | 2460. | Anderson and Stafford, 1983 | 15. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 200. | 2501. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 2487. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Packed | OV-101 | 2510. | Maurer and Pfleger, 1984 | N2, Chromosorb G HP, 20. K/min, 310. C @ 3. min; Column length: 0.6 m; Tstart: 100. C |
Packed | OV-1 | 2450. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 5. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Other | Methyl Silicone | 2487. | Ardrey and Moffat, 1981 | Program: not specified |
Packed | OV-101 | 2510. | Dubsky, Hána, et al., 1978 | Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chauvet and Masse, 1983
Chauvet, A.; Masse, J.,
Study of Pyschotherapeutic Substances II. Antipsycotic Substances. Chlorprothixene, Chlorpromazine Chlorohydrate, Levvomepromazine Chloro- hydrate, Fluphenazine Dichlorhydrate,
Thermochim. Acta, 1983, 64, 267. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Chauvet and Masse, 1983, 2
Chauvet, A.; Masse, J.,
Etude thermoanalytique de substances psychotherapeutiques. II. Substances antipsychotiques. Chorprothixene, chlorhydrate de chlorpromazine, chlorhydrate de levomepromazine, dichlorhydrate de fluphenazine,
Thermochim. Acta, 1983, 64, 267-284. [all data]
Masse and Chauvet, 1983
Masse, J.; Chauvet, A.,
Application of thermal analysis to the determination of the purity of chemical drugs. Chlorprothixene as an example,
Ann. Pharm. Fr., 1983, 41, 6, 579. [all data]
Fulton and Lyons, 1968
Fulton, A.; Lyons, L.E.,
The ionization energies of some phenothiazine tranquillizers and molecules of similar structure,
Australian J. Chem., 1968, 21, 873. [all data]
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]
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]
Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T.,
Applications of capillary gas chromatography in routine toxicological analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506
. [all data]
Dubsky, Hána, et al., 1978
Dubsky, H.; Hána, K.; Komárková, M.; Rittich, B.,
Pouzití kovatsovych indexu pri toxikologickych analysách,
Chem. Listy, 1978, 72, 980-984. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Maurer and Pfleger, 1984
Maurer, H.; Pfleger, K.,
Screening procedure for detection of phenothiazine and analogous neuroleptics and their metabolites in urine using a computerized gas chromatographic-mass spectrometric technique,
J. Chromatogr., 1984, 306, 125-145, https://doi.org/10.1016/S0378-4347(00)80876-2
. [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
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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