Pyridinium, 1,1'-(2,3-dihydroxytetramethylene)bis(4-formyl-, dithiocyanate, dioxime

CAS 3852-76-4 MFCD03852764

化学结构图

3852-76-4
SMILES: N#C[S-].N#C[S-].O/N=C/c1cc[n+](C[C@H](O)[C@H](O)C[n+]2ccc(/C=N/O)cc2)cc1

化学属性

Mol. Weight448.56
Mol. FormulaC16H20N4O4.2CNS

别名和识别编码

Synonym R 46 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))butanediol(2,3)-dirhodanid
Wiswesser Line NotationT6KJ D1UNQ A1YQYQ1- AT6KJ D1UNQ &SCN 2
Chemical NamePyridinium, 1,1'-(2,3-dihydroxytetramethylene)bis(4-formyl-, dithiocyanate, dioxime
CAS Number3852-76-4
InChIKeyCQDHEBVRIRVVEA-UHFFFAOYSA-N
PubChem Substance ID135875558
InChIInChI=1S/C16H18N4O4.2CNS/c21-15(11-19-5-1-13(2-6-19)9-17-23)16(22)12-20-7-3-14(4-8-20)10-18-24;2*2-1-3/h1-10,15-16,21-22H,11-12H2;;/q;2*-1/p+2
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安全信息

RTECSUU3878000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 123 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 14,870,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 14,870,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 41 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 14,870,1964

系列性分类

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