Theophylline, 8,8'-methylenebis(2-thio-

CAS 1915-58-8 MFCD01682205

化学结构图

1915-58-8
SMILES: Cn1c(=O)c2[nH]c(Cc3nc4c([nH]3)c(=O)n(C)c(=S)n4C)nc2n(C)c1=S

化学属性

Mol. FormulaC15H16N8O2S2
Mol. Weight404.51

别名和识别编码

Chemical NameTheophylline, 8,8'-methylenebis(2-thio-
InChIKeyQIRUGLODEIPRED-UHFFFAOYSA-N
Synonym 8,8'-Methylene-bis-(2-thiotheophylline)
Wiswesser Line NotationT56 BM DN FNYNVJ F1 GUS H1 C1- CT56 BM DN FNYNVJ F1GUS H1
Beilstein Registry Number1190517
CAS Number1915-58-8
PubChem Substance ID96985
InChIInChI=1S/C15H16N8O2S2/c1-20-10-8(12(24)22(3)14(20)26)16-6(18-10)5-7-17-9-11(19-7)21(2)15(27)23(4)13(9)25/h5H2,1-4H3,(H,16,18)(H,17,19)
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安全信息

RTECSXH6050000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#04409

系列性分类

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