Theophylline, 8-dodecylthio-2-thio-

CAS 6466-12-2 MFCD06466122

化学结构图

6466-12-2
SMILES: CCCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight396.67
Mol. FormulaC19H32N4OS2

别名和识别编码

Chemical NameTheophylline, 8-dodecylthio-2-thio-
Chemicalbook IDCB22228675
Synonym Uric acid, 1,3-dimethyl-8-dodecylthio-2-thio- 2-Thio-8-n-dodecylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ CS12 F1 GUS H1
Beilstein Registry Number1160057
CAS Number6466-12-2
InChIKeyPEAOVXMJAWPZGN-UHFFFAOYSA-N
PubChem Substance ID97058
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(25)23(3)17(15)24/h4-14H2,1-3H3,(H,20,21)
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安全信息

RTECSXH5158000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#04452

系列性分类

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