Benzobarbital 苯甲酰苯巴比妥

CAS 744-80-9 MFCD00806921

化学结构图

744-80-9
SMILES: CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O

化学属性

Mol. FormulaC19H16N2O4
Mol. Weight336.34
Melting Point134.5 °C
Boiling Point472.83 °C at 760 mmHg

别名和识别编码

Chemical NameBenzobarbital
Synonym Benzobarbital {LY} Benzobarbital {} {LY} Benzobarbital {} {} {LY} Benzobarbital {} {} {} {LY} Benzobarbital {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzobarbital {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number744-80-9
Wiswesser Line NotationT6VMVNV FHJ DVR& F2 FR
Beilstein Registry Number0627140
Chemical Name Translation苯甲酰苯巴比妥
LabNetwork Molecule IDLN00223249
PubChem Substance ID12938
InChIInChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
Canonical SMILESO=C1NC(C(C2=CC=CC=C2)(CC)C(N1C(C3=CC=CC=C3)=O)=O)=O
MDL NumberMFCD00806921
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安全信息

RTECSCQ0477600 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 982 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APSXAS Acta Pharmaceutica Suecica.  (Apotekarsocieteten-Farmacevtiska
   Foereningen, Box 1136, S-111, 81 Stockholm, Sweden)  V.1-    1964-
   Volume(issue)/page/year: 6,177,1969

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 20 mg/kg
REFERENCE :
   CYGEDX Cytology and Genetics (English Translation).  Translation of TGANAK.
   (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011)  V.8-    1974-
   Volume(issue)/page/year: 10(2),1,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 20 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   CYGEDX Cytology and Genetics (English Translation).  Translation of TGANAK.
   (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011)  V.8-    1974-
   Volume(issue)/page/year: 10(2),1,1976

Storage condition

系列性分类

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