5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid acetate (ester)

CAS 1042-93-9 MFCD01042939

化学结构图

1042-93-9
SMILES: CCCCC1C(=O)NC(=O)N(C2CCC(OC(C)=O)CC2)C1=O

化学属性

Mol. FormulaC16H24N2O5
Mol. Weight324.42

别名和识别编码

Chemical NameBarbituric acid, 5-butyl-1-(4-hydroxycyclohexyl)-, acetate (ester)
Chemicalbook IDCB02195955
Synonym 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid acetate (ester)
CAS Number1042-93-9
Beilstein Registry Number0765586
InChIKeyBPUYNCJCQVSSST-UHFFFAOYSA-N
PubChem Substance ID13969
InChIInChI=1S/C16H24N2O5/c1-3-4-5-13-14(20)17-16(22)18(15(13)21)11-6-8-12(9-7-11)23-10(2)19/h11-13H,3-9H2,1-2H3,(H,17,20,22)
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安全信息

RTECSCQ2310900 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,254,1969

系列性分类

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