Digitalin

CAS 752-61-4 MFCD00055893

化学结构图

752-61-4
SMILES: CO[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O

化学属性

Mol. FormulaC36H56O14
Mol. Weight712.92

别名和识别编码

Chemical NameDigitalum verum
InChIKeyCKNOLMVLQUPVMU-RIVHUZBLSA-N
Synonym Digitalin Digitalin (glycoside) Glucostrospeside Digitalinum verum Gitoxigenin-glucodigitalosid
CAS Number752-61-4
PubChem Substance ID441856
InChIInChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
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安全信息

RTECSIH2030000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 1332 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 111,365,1954

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 460 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster,
   Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963  Volume(issue)/page/year:
   -,44,1963

系列性分类

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