Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

89352-76-1

Name N-Methyl OMeprazole (Mixture of isoMers with the Methylated nitrogens of iMidazole)
CAS 89352-76-1
Molecular Formula C36H42N6O6S2
MDL Number MFCD19441777
Molecular Weight 718.885
MOL File 89352-76-1.mol

Chemical Properties

Melting point  132-135°C
Boiling point  585.8±60.0 °C(Predicted)
density  1.30
storage temp.  -20?C Freezer
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.74±0.40(Predicted)
color  White to Light Brown
InChI InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-8-13(23-4)6-7-16(14)21(18)3/h6-9H,10H2,1-5H3
InChIKey RUGQJBJNYIHOIW-UHFFFAOYSA-N
SMILES C1(S(CC2=NC=C(C)C(OC)=C2C)=O)N(C)C2=CC=C(OC)C=C2N=1

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code  29339900

Hazard Information

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