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Omeprazole-d3 Sulfone

CAT: 0572-TRC-O635027-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O635027-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189891-71-1
Synonyms
5-(Methoxy-d3)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]- 1H-benzimidazole;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(C(OC)=C(C)C=N1)=C1CS(C(N2)=NC3=C2C=CC(OC([2H])([2H])[2H])=C3)(=O)=O
Molecular Formula
C17H16D3N3O4S
Molecular Weight
364.43
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Omeprazole-d3 Sulfone
CAS Number1189891-71-1
PubChem CID45040156
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
Molecular FormulaC17H19N3O4S
Molecular Weight364.4
XLogP2.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity553
SMILES
[2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC3=NC=C(C(=C3C)OC)C
InChI
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
InChIKey
IXEQEYRTSRFZEO-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Omeprazole-d3 Sulfone
CAS: 1189891-71-1
CID: 45040156
Formula: C17H19N3O4S
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass364.12845751
Monoisotopic Mass364.12845751
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity553
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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Alternative Products

CatalogName
sc-219488Omeprazole-d3 Sulfone
HY-G0007SOmeprazole sulfone-d3
HY-G0007S1-01Omeprazole sulfone-13C, d3
ESS0270-01Omeprazole-13C, D3 Sulfone
HY-B0113S2Omeprazole metabolite Omeprazole sulfone (methoxy-d3)
HY-138199S1-01Omeprazole sulfone N-oxide-d3
ESS0272-01Omeprazole-D3 Sulfone N-Oxide
AR-O01313-015-Hydroxy Omeprazole-d3 Sulfone
C3471-5Omeprazole sulfone
ESS0271-01Omeprazole-13C, D3 Sulfone N-Oxide

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