Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)-
CAS 6505-98-2 MFCD01737593
化学结构图
SMILES: Cn1c(=S)c2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2n(C)c1=O
化学属性
| Mol. Formula | C17H17FN4O2S2 |
|---|---|
| Mol. Weight | 392.50 |
别名和识别编码
| Chemical Name | Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)- |
|---|---|
| InChIKey | BEBDNAPSDUYCHM-UHFFFAOYSA-N |
| Synonym | Theophylline, 8-(3-p-fluorobenzoylpropyl)thio-6-thio- 6-Thio-8-(3'-p-fluorobenzoylpropyl)thiotheophylline |
| Beilstein Registry Number | 1175160 |
| CAS Number | 6505-98-2 |
| PubChem Substance ID | 3032510 |
| InChI | InChI=1S/C17H17FN4O2S2/c1-21-14-13(15(25)22(2)17(21)24)19-16(20-14)26-9-3-4-12(23)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,19,20) |
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TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04454
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