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Rabeprazole-d3 Sulfide

CAT: 0572-TRC-R070512-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R070512-25MGSize:25 mg
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CAS Number
1185084-49-4
Synonyms
2-[[[3-Methyl-4-(3-(methoxy-d3)propoxy)-2-pyridyl]methyl]thio]-1H-benzimidazole;
Hazard Statement
No Data Available
Smiles
CC(C(OCCCOC([2H])([2H])[2H])=CC=N1)=C1CSC(N2)=NC3=C2C=CC=C3
Molecular Formula
C18H18D3N3O2S
Molecular Weight
346.46
InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/i2D3
Additionnal Information
IUPAC name: 2-(((4-(3-(methoxy-d3)propoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Rabeprazole-d3 Sulfide
CAS Number1185084-49-4
PubChem CID46782837
IUPAC Name2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Molecular FormulaC18H21N3O2S
Molecular Weight346.5
XLogP3.3
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity374
SMILES
[2H]C([2H])([2H])OCCCOC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/i2D3
InChIKey
BSXAHDOWMOSVAP-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Rabeprazole-d3 Sulfide
CAS: 1185084-49-4
CID: 46782837
Formula: C18H21N3O2S
MW: 346.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass346.15427833
Monoisotopic Mass346.15427833
Topological Polar Surface Area85.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity374
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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HY-W003467R-01Rabeprazole Sulfide (Standard)
sc-476708Rabeprazole Sulfide N-Oxide
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