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470-37-1

Name Cinobufagin
CAS 470-37-1
EINECS(EC#) 205-398-1
Molecular Formula C26H34O6
MDL Number MFCD00004369
Molecular Weight 442.55
MOL File 470-37-1.mol
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Chemical Properties

Melting point  133 °C(lit.)
Boiling point  300 °C(lit.)
density  1.261 g/cm3
Fp  >230 °F
storage temp.  2-8°C
solubility  DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml
form  powder to crystal
pka 15.10±0.70(Predicted)
color  White to Light yellow
InChIKey SCULJPGYOQQXTK-QZXYOKJUNA-N
SMILES C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]31O[C@@H]3[C@H](OC(=O)C)[C@@H]2C1=COC(=O)C=C1)C |&1:1,4,6,9,12,16,18,20,21,26,r|

Safety Data

Hazard Codes  Xi,T+,Xn
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 1
WGK Germany  3
RTECS  GD7850000
HazardClass  6.1(a)
PackingGroup  II
HS Code  29322090

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