1108-68-5

Name Cinobufotalin
CAS 1108-68-5
Molecular Formula C26H34O7
MDL Number MFCD00055946
Molecular Weight 458.54
MOL File 1108-68-5.mol
show more

Chemical Properties

Melting point  259-262°
alpha  D20 +11°
Boiling point  627.3±55.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF: 10 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 5 mg/ml; Ethanol: 5 mg/ml
form  White to off-white solid.
pka 14.67±0.70(Predicted)
color  White to off-white
InChIKey KBKUJJFDSHBPPA-XYCOMLSLNA-N
SMILES [C@]123O[C@@H]1[C@@H]([C@H](C1=COC(=O)C=C1)[C@@]2(C)CC[C@]1([H])[C@@]2(C)CC[C@H](O)C[C@@]2(O)CC[C@@]31[H])OC(=O)C |&1:0,2,3,4,12,16,18,22,25,29,r|
CAS DataBase Reference 1108-68-5

Safety Data

Hazard Codes  T+
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 1
WGK Germany  3
RTECS  EI2991000
HazardClass  6.1(a)
PackingGroup  II
Toxicity
cat,LD50,intravenous,200ug/kg (0.2mg/kg),"Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

Supplier

Related Products

Send Inquriy