Bufotoxin

CAS 464-81-3 MFCD01740825

化学结构图

464-81-3
SMILES: CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1

化学属性

Mol. FormulaC40H60N4O10
Mol. Weight757.04

别名和识别编码

Chemical Name5-beta-Bufa-20,22-dienolide,3-beta,14,16-beta-trihydroxy-, 16-acetate, 3-N(sup2)-ester with N(sup2)-(7-carboxyheptanoyl)-L-arginine
Wiswesser Line NotationL E5 B666TJ A1 E1 GOV1 IOV6VMYVQ3MYZUM OQ F- ET6OVJ
Synonym Bufotalin 3-suberoylarginine ester Bufotoxin Regularo-bufotoxin Vulgarobufotoxin bufotoxin
CAS Number464-81-3
Beilstein Registry Number0077579
PubChem Substance ID20054854
InChIInChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1
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安全信息

RTECSEI3160000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 7,315,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATWAY Naturwissenschaften.  (Springer-Verlag, Heidelberger Platz 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.1-    1913-  Volume(issue)/page/year:
   56,615,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 300 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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

系列性分类

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