Theophylline, 8-dodecylthio-6-thio-

CAS 6493-37-4 MFCD N/A

化学结构图

6493-37-4
SMILES: CCCCCCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. Weight396.67
Mol. FormulaC19H32N4OS2

别名和识别编码

Chemical NameTheophylline, 8-dodecylthio-6-thio-
Chemicalbook IDCB22430423
Synonym 6-Thio-8-dodecylthiotheophylline Uric acid, 1,3-dimethyl-8-dodecylthio-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS12 F1 H1 IUS
Beilstein Registry Number1160056
CAS Number6493-37-4
InChIKeyXXIAMSSXXPCLDP-UHFFFAOYSA-N
PubChem Substance ID3034541
InChIInChI=1S/C19H32N4OS2/c1-4-5-6-7-8-9-10-11-12-13-14-26-18-20-15-16(21-18)22(2)19(24)23(3)17(15)25/h4-14H2,1-3H3,(H,20,21)
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安全信息

RTECSXH5159000 
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#04448

系列性分类

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