1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))-butanediol(2,3)-dinitrat [German]

CAS 1102-70-1 MFCD N/A

化学结构图

1102-70-1
SMILES: O=[N+]([O-])[O-].O=[N+]([O-])[O-].ON=Cc1cc[n+](CC(O)C(O)C[n+]2ccc(C=NO)cc2)cc1

化学属性

Mol. Weight456.42
Mol. FormulaC16H20N4O4.2NO3

别名和识别编码

Synonym R 45 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))-butanediol(2,3)-dinitrat
Wiswesser Line NotationT6KJ D1UNQ A1YQYQ1- AT6KJ D1UNQ &WNO 2
Chemical NameR 45
CAS Number1102-70-1
InChIKeyPCPQWYHRMVULIX-UHFFFAOYSA-P
PubChem Substance ID135909947
InChIInChI=1S/C16H18N4O4.2NO3/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)4/h1-10,15-16,21-22H,11-12H2;;/q;2*-1/p+2
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安全信息

RTECSUU3877000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 55 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           : 140 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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 179 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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