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Omeprazole-d3 Sulfide

CAT: 0572-TRC-O635022-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O635022-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
922730-98-1
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1
Molecular Formula
C17 2H3 H16 N3 O2 S
Molecular Weight
332.44
InChI
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
Additionnal Information
IUPAC name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-(trideuteriomethoxy)-1H-benzimidazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(((4-Methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfanyl)-6-((~2~H_3_)methyloxy)-1H-benzimidazole
CAS Number922730-98-1
PubChem CID45040155
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole
Molecular FormulaC17H19N3O2S
Molecular Weight332.4
XLogP3.5
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity387
SMILES
[2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3C)OC)C
InChI
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
InChIKey
XURCIPRUUASYLR-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of 2-(((4-Methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfanyl)-6-((~2~H_3_)methyloxy)-1H-benzimidazole
CAS: 922730-98-1
CID: 45040155
Formula: C17H19N3O2S
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass332.13862827
Monoisotopic Mass332.13862827
Topological Polar Surface Area85.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity387
Isotope Atom Count3
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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