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Dexlansoprazole-[d4]

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General Information
Catalog: BLP-012308
CAS: 934294-22-1
Molecular Formula: C16H10D4F3N3O2S
Molecular Weight: 373.38

Chemical Structure

Description	Dexlansoprazole-[d4] is the labelled analogue of Dexlansoprazole, which is used as a gastric proton pump inhibitor.
Synonyms	Dexlansoprazole D4; 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole-d4; A-65006-d4
IUPAC Name	4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
Related CAS	103577-45-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)S(=O)CC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]
Canonical SMILES	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI	InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D
InChI Key	MJIHNNLFOKEZEW-QFFDRWTDSA-N
Boiling Point	555.8±60.0 °C at 760 mmHg
Melting Point	166-168°C
Purity	95% by HPLC; 95% atom D
Density	1.5±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, DMSO, Methanol
Appearance	White to Off-White Solid
Storage	Store at -20°C