6-Benzylthio-1,2,3,4-tetrahydro-1-oxo-beta-carboline

CAS 899-80-9 MFCD N/A

化学结构图

899-80-9
SMILES: O=C1NCCc2c1[nH]c1ccc(SCc3ccccc3)cc21

化学属性

Mol. FormulaC18H16N2OS
Mol. Weight308.42

别名和识别编码

Synonym 6-Benzylthio-1,2,3,4-tetrahydro-1-oxo-beta-carboline
Wiswesser Line NotationT B656 EMV HMT&&J LS1R
Chemical Name9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-
CAS Number899-80-9
Beilstein Registry Number0685543
InChIKeyDENWQNUGTUJDNR-UHFFFAOYSA-N
PubChem Substance ID120451
InChIInChI=1S/C18H16N2OS/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)
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安全信息

RTECSUV1060000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#12181

系列性分类

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