109904-27-0

Name 2-Oxo Clopidogrel Hydrochloride (Mixture of diastereomers)
CAS 109904-27-0
Molecular Formula C16H17Cl2NO3S
MDL Number MFCD16036308
Molecular Weight 337.82
MOL File 109904-27-0.mol
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Chemical Properties

Appearance Beige Solid
Melting point  133-1350C
Boiling point  488.1±45.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  Oil
pka 3.41±0.20(Predicted)
color  Pale Yellow to Beige
InChI InChI=1S/C16H16ClNO3S.ClH/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13;/h2-5,8,13,15H,6-7,9H2,1H3;1H
InChIKey KCFLQPXPVKZERK-UHFFFAOYSA-N
SMILES C(OC)(=O)C(C1=CC=CC=C1Cl)N1CC2=CC(=O)SC2CC1.[H]Cl
CAS DataBase Reference 109904-27-0

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