Sodium(5S)-3-acetyl-5-[(S)-1-methylpropyl]-4-hydroxy-3-pyrroline-2-olate

CAS 1013-59-8 MFCD N/A

化学结构图

1013-59-8
SMILES: CCC(C)[C@@H]1N[C@@H]([O-])C(C(C)=O)=C1O.[Na+]

化学属性

Mol. Weight219.24
Mol. FormulaC10H14NO3.Na

别名和识别编码

Chemical Name3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-,monosodium salt
Chemicalbook IDCB92328572
Wiswesser Line NotationT5MV EHJ CV1 DO EY2&1 &-NA-
Synonym 3-Acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one sodium salt 3-Acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one monosodium salt 3-Acetyl-1,5-dihydro-4-hydroxy-5-(1-methylpropyl)-2H-pyrrol-2-one sodium
CAS Number1013-59-8
PubChem Substance ID23674500
InChIInChI=1S/C10H15NO3.Na/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8;/h5,8,13H,4H2,1-3H3,(H,11,14);/q;+1/p-1/t5-,8-;/m0./s1
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安全信息

RTECSUY7525000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 168 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - other changes
   Blood - hemorrhage
REFERENCE :
   CNCRA6 Cancer Chemotherapy Reports.  (Bethesda, MD)  V.1-52, 1959-68.  For
   publisher information, see CTRRDO.  Volume(issue)/page/year: 52,579,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 146 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - other changes
   Blood - hemorrhage
REFERENCE :
   CNCRA6 Cancer Chemotherapy Reports.  (Bethesda, MD)  V.1-52, 1959-68.  For
   publisher information, see CTRRDO.  Volume(issue)/page/year: 52,579,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - other changes
   Blood - hemorrhage
REFERENCE :
   CNCRA6 Cancer Chemotherapy Reports.  (Bethesda, MD)  V.1-52, 1959-68.  For
   publisher information, see CTRRDO.  Volume(issue)/page/year: 52,579,1968

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : >40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CNCRA6 Cancer Chemotherapy Reports.  (Bethesda, MD)  V.1-52, 1959-68.  For
   publisher information, see CTRRDO.  Volume(issue)/page/year: 52,579,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSE

系列性分类

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