127472-42-8

Name GRANISETRON IMPURITY A
CAS 127472-42-8
Molecular Formula C18H24N4O
MDL Number MFCD09840381
Molecular Weight 312.415
MOL File 127472-42-8.mol
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Chemical Properties

Appearance Pinkish-White Crystalline Sold
Melting point  245-248°C
Boiling point  552.3±40.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 13.26±0.20(Predicted)
Major Application pharmaceutical
InChI 1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
InChIKey INMQDEMSQWWCSB-UHFFFAOYSA-N
SMILES [n]1(nc2c(c1C(=O)NC3CC4N(C(C3)CCC4)C)cccc2)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
WGK Germany  WGK 3
HS Code  2933399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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