Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-

CAS 6559-86-0 MFCD06559860

化学结构图

6559-86-0
SMILES: CN1C(=O)N(C)C2N=C(NC=2C1=S)SCCN1CCCC1

化学属性

Mol. Weight325.49
Mol. FormulaC13H19N5OS2

别名和识别编码

Chemical NameTheophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
Chemicalbook IDCB82170480
Synonym Uric acid, 1,3-dimethyl-8-(2-pyrrolidinoethyl)thio-6-thio- 6-Thio-8-(beta-N-pyrrolidinoethyl)thiotheophylline
Wiswesser Line NotationT56 BM DN FNVNYJ F1 H1 IUS CS2- BT5MTJ
Beilstein Registry Number1155144
CAS Number6559-86-0
InChIKeyKLAIFKHPSDRWRR-UHFFFAOYSA-N
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安全信息

RTECSXH6497800 
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#04460

系列性分类

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