1227380-90-6

Name EsoMeprazole related substance H431/41
CAS 1227380-90-6
Molecular Formula C16H15N3O4
MDL Number MFCD23703020
Molecular Weight 313.31
MOL File 1227380-90-6.mol

Chemical Properties

Boiling point  537.0±60.0 °C(Predicted)
density  1.419
pka -1.45±0.20(Predicted)
InChI InChI=1S/C16H15N3O4/c1-8-7-19(13(15(21)22)9(2)14(8)20)16-17-11-5-4-10(23-3)6-12(11)18-16/h4-7H,1-3H3,(H,17,18)(H,21,22)
InChIKey CDVIAIZPAAQCEE-UHFFFAOYSA-N
SMILES C1(C(O)=O)N(C2NC3=CC(OC)=CC=C3N=2)C=C(C)C(=O)C=1C

Hazard Information

Supplier