Acetic acid, thio-, S-ester with 4-(bis(2-bromoethyl)amino)benzene thiol

CAS 2045-16-1 MFCD N/A

化学结构图

2045-16-1
SMILES: CC(=O)Sc1ccc(N(CCBr)CCBr)cc1

化学属性

Mol. Weight381.16
Mol. FormulaC12H15Br2NOS

别名和识别编码

Synonym Acetic acid, thio-, S-(bis(2-bromoethylamino)phenyl ester
Wiswesser Line NotationE2N2ER DSV1
Chemical NameAcetic acid, thio-, S-ester with 4-(bis(2-bromoethyl)amino)benzene thiol
Beilstein Registry Number2811877
CAS Number2045-16-1
InChIKeyRJTQXAGEXLGPGB-UHFFFAOYSA-N
PubChem Substance ID16281
InChIInChI=1S/C12H15Br2NOS/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3
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安全信息

RTECSAJ6850000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 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: 8,167,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 61 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: 8,167,1965

系列性分类

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