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511-09-1

Name ALPHA-ERGOCRYPTINE
CAS 511-09-1
EINECS(EC#) 208-121-2
Molecular Formula C32H41N5O5
MDL Number MFCD00056790
Molecular Weight 575.7
MOL File 511-09-1.mol

Chemical Properties

Melting point  152-154°C
alpha  D20 -120° (pyridine); -198° (chloroform)
Boiling point  636.59°C (rough estimate)
density  1.1762 (rough estimate)
refractive index  1.7500 (estimate)
storage temp.  −20°C
solubility  45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL
form  Solid
pka 9.61±0.60(Predicted)
color  Pale Yellow to Pale Beige
Stability: Hygroscopic
InChIKey YDOTUXAWKBPQJW-YBALXUQENA-N
SMILES [C@@]12(O)O[C@@](C(C)C)(NC(=O)[C@H]3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C)C(=O)N1[C@@H](CC(C)C)C(=O)N1CCCC21 |&1:0,3,10,30,r|

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
RIDADR  UN 1544 6.1/PG 3
WGK Germany  3
RTECS  KE1400000
HazardClass  6.1(b)
PackingGroup  III

Hazard Information

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