3-Hydroxytetrahydrothiophene 1,1-Dioxide 3-羟基四氢噻吩1,1-二氧化物
CAS 13031-76-0 MFCD00154867
化学结构图
SMILES: OC1CS(=O)(=O)CC1
化学属性
| Mol. Formula | C4 |
|---|---|
| Mol. Weight | 136 |
别名和识别编码
| Chemical Name | 3-Hydroxytetrahydrothiophene 1,1-Dioxide |
|---|---|
| CAS Number | 13031-76-0 |
| Synonym | 3-Hydroxysulpholane; 3-Hydroxysulfolane; Tetrahydrothiophene-3-ol 1,1-dioxide 3-hydroxysulfolane Tetrahydrothiophene-3-ol 1,1-Dioxide Thiophene-3-ol, tetrahydro-, 1,1-dioxide Sulfolan-3-ol 3-Hydroxysulfolane Sulfonan-3-ol (R,S)-1,1-Dioxo-tetrahydro-1l6-thiophen-3-ol 1,1-dioxo-tetrahydro-1λ6-thiophen-3-ol Tetrahydrothiophene-3-ol 1,1-dioxide (R,S)-1,1-Dioxo-tetrahydro-1λ6-thiophen-3-ol NSC 147314 3-Oxysulfolan 3-Hydroxythiolane 1,1-Dioxide |
| Wiswesser Line Notation | T5SWTJ CQ |
| Beilstein Registry Number | 0002351 |
| Chemical Name Translation | 3-羟基四氢噻吩1,1-二氧化物 |
| MDL Number | MFCD00154867 |
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分类
- Metabolites & Impurities
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Sulfur & Selenium Compounds
- {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; alcohol; sulfone; racemate; 1fragment
产品应用
- A sulfolane derivative with antiinflammatory activity. A metabolite of Busulfan (B689900) and 1,4-Dibromobutane.
相关文献及参考
- Hassan, M. et al.: Eur. J. Drug Metab. Pharmcokin., 13, 301 (1988); Onkenhout, W. et al.: Drug Metab. Disp., 14, 608 (1986); Kamalova, E.G. et al.: Farmakol. Toksikol., 42, 261 (1979);
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3500 mg/kg TOXIC EFFECTS : Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 41,257,1978
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