Bufa-20,22-dienolide,3,5,14-trihydroxy-19-oxo-,(3beta,5beta)-

CAS 465-90-7 MFCD00465907

化学结构图

465-90-7
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1

化学属性

Mol. FormulaC24H32O6
Mol. Weight416.56

别名和识别编码

Wiswesser Line NotationL E5 B666TJ AVH E1 IQ MQ OQ F- ET6OVJ
Chemical NameBufa-20,22-dienolide,3,5,14-trihydroxy-19-oxo-,(3beta,5beta)-
Synonym 19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide Bufotalidin Gellebrigenin Hellebrigenin hellebrigenin
CAS Number465-90-7
Beilstein Registry Number0056259
InChIKeyTVKPTWJPKVSGJB-XHCIOXAKSA-N
LabNetwork Molecule IDLN04671735
PubChem Substance ID259577
InChIInChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
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安全信息

RTECSEI3175800 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 77 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHUZBI Pharmazie in Unserer Zeit.  (VCH Pub., Inc., 303 N.W. 12th Ave.,
   Deerfield Beach, FL 33441) V.1-    1972-  Volume(issue)/page/year:
   13,129,1984

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 514 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APJUA8 Acta Pharmaceutica Jugoslavica.  (FDH, Masarykova 2, 41000 Zagreb,
   Yugoslavia)  V.1-41, 1951-1991.  Volume(issue)/page/year: 24,179,1974

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1345 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 252,314,1966

系列性分类

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