Ethanethiol, 2-octadecylamino-, hydrogen sulfate (ester)

CAS 929-47-5 MFCD00929475

化学结构图

929-47-5
SMILES: CCCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O

化学属性

Mol. Weight409.76
Mol. FormulaC20H43NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M18
Chemical NameEthanethiol, 2-octadecylamino-, hydrogen sulfate (ester)
Synonym WR 2362 2-Octadecylaminoethanethiol hydrogen sulfate (ester) Thiosulfuric acid, S-(2-(octadecylamino)ethyl) ester
Beilstein Registry Number2385563
CAS Number929-47-5
Chemicalbook IDCB32384297
InChIKeyZPIZOEMTEYVDGD-UHFFFAOYSA-N
PubChem Substance ID70245
InChIInChI=1S/C20H43NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25-26(22,23)24/h21H,2-20H2,1H3,(H,22,23,24)
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安全信息

RTECSKJ2504000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,251,1970

系列性分类

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