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Lansoprazole Sulfide-D4

CAT: 1459-CS-F-00051Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-F-00051Size:1 Each
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Description
Lansoprazole Sulfide-D4 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Lansoprazole. The product is supplied by Clearsynth under CAT No. CS-F-00051. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1216682-38-0
Synonyms
Lansoprazole Sulfide-D4
Molecular Formula
C 16 H 10 D 4 F 3 N 3 OS
Molecular Weight
357.387
Additionnal Information
Lansoprazole Sulfide-D4 is supplied with detailed characterization data compliant with regulatory guideline. Lansoprazole Sulfide-D4 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Lansoprazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Lansoprazole Sulfide-d4
CAS Number1216682-38-0
PubChem CID45039649
IUPAC Name4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Molecular FormulaC16H14F3N3OS
Molecular Weight357.4
XLogP4.2
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity413
SMILES
[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)SCC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]
InChI
InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D
InChIKey
CCHLMSUZHFPSFC-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of Lansoprazole Sulfide-d4
CAS: 1216682-38-0
CID: 45039649
Formula: C16H14F3N3OS
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass357.10607472
Monoisotopic Mass357.10607472
Topological Polar Surface Area76.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity413
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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