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

CAS 1031-90-9 MFCD01031909

化学结构图

1031-90-9
SMILES: CCCCC1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O

化学属性

Mol. FormulaC14H22N2O4
Mol. Weight282.38

别名和识别编码

Chemical NameBarbituric acid, 5-butyl-1-(4-hydroxycyclohexyl)-
Chemicalbook IDCB32377189
Wiswesser Line NotationT6VMVNV FHJ F4 D- AL6TJ DQ&
Synonym 5-Butyl-1-(4-hydroxycyclohexyl)perhydropyrimidine-2,4,6-trione 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid 5-n-Butyl-1-(4-hydroxycyclohexyl)-2,4,6-trioxoperhydropyrimidine
CAS Number1031-90-9
Beilstein Registry Number0757640
InChIKeyIVELJTFCCSNMJA-UHFFFAOYSA-N
PubChem Substance ID13944
InChIInChI=1S/C14H22N2O4/c1-2-3-4-11-12(18)15-14(20)16(13(11)19)9-5-7-10(17)8-6-9/h9-11,17H,2-8H2,1H3,(H,15,18,20)
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安全信息

RTECSCQ2310800 
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 :
   TAKHAA Takeda Kenkyusho Ho.  Journal of the Takeda Research Laboratories.
   (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
   Japan)  V.29-    1970-  Volume(issue)/page/year: 30,801,1971

系列性分类

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