159776-70-2

Name Melagatran
CAS 159776-70-2
Molecular Formula C22H31N5O4
MDL Number MFCD00945676
Molecular Weight 429.51
MOL File 159776-70-2.mol
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Chemical Properties

Melting point  198-200°C
density  1.41±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.12±0.10(Predicted)
color  White to Off-White
Stability: Hygroscopic
InChIKey DKWNMCUOEDMMIN-PKOBYXMFSA-N
SMILES C(O)(=O)CN[C@H](C1CCCCC1)C(N1CC[C@H]1C(NCC1=CC=C(C(N)=N)C=C1)=O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H335-H319-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Hazard Information

Spectrum Detail

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