Theophylline, 8-allylthio-6-thio-

CAS 6493-39-6 MFCD06493396

化学结构图

6493-39-6
SMILES: C=CCSc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1

化学属性

Mol. Weight268.38
Mol. FormulaC10H12N4OS2

别名和识别编码

Chemical NameTheophylline, 8-allylthio-6-thio-
Chemicalbook IDCB42183239
Synonym 6-Thio-8-allylthiotheophylline Uric acid, 8-allylthio-1,3-dimethyl-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS2U1 F1 H1 IUS
Beilstein Registry Number1133574
CAS Number6493-39-6
InChIKeyQVQXYQSTADXLAR-UHFFFAOYSA-N
PubChem Substance ID3034528
InChIInChI=1S/C10H12N4OS2/c1-4-5-17-9-11-6-7(12-9)13(2)10(15)14(3)8(6)16/h4H,1,5H2,2-3H3,(H,11,12)
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安全信息

RTECSXH3865000 
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#04438

系列性分类

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