2,2'-(Methylimino)diethanol bismethanesulfonate picrylsulfonate

CAS 3545-53-7 MFCD N/A

化学结构图

3545-53-7
SMILES: CN(CCS(C)(=O)=O)CCS(C)(=O)=O.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1

化学属性

Mol. Weight568.55
Mol. FormulaC7H17NO6S2.C6H3N3O9S

别名和识别编码

Wiswesser Line NotationWSQR BNW DNW FNW &WS1&O2N1&2OSW1
Chemical NameEthanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate
Synonym 2,2'-Dimesyloxy-N-methyldiethylamine picrylsulfonate 2,2'-(Methylimino)diethanol bismethanesulfonate picrylsulfonate
CAS Number3545-53-7
InChIKeyMSZNDTILGJKSFM-UHFFFAOYSA-N
PubChem Substance ID198934
InChIInChI=1S/C7H17NO4S2.C6H3N3O9S/c1-8(4-6-13(2,9)10)5-7-14(3,11)12;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h4-7H2,1-3H3;1-2H,(H,16,17,18)
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安全信息

RTECSKL7580000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 7500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 11,1218,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7500 ug/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 12,954,1964

系列性分类

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