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Rabeprazole Sulfone

CAT: 0572-TRC-R070505-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R070505-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117976-47-3
Synonyms
Rabeprazole Sulphone; Rabeprazole Sulphone; Rabeprazole Sodium Imp. A (EP); Rabeprazole Imp. A (EP); Rabeprazole USP Related Compound D; Rabeprazole USP RC D:; Rabeprazole Related Compound D; Rabeprazole Sodium Impurity A; Rabeprazole Impurity A
Hazard Statement
Harmful if swallowed
Smiles
COCCCOc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C
Molecular Formula
C18 H21 N3 O4 S
Molecular Weight
375.44
InChI
InChI=1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
Additionnal Information
IUPAC name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfonyl]-1H-benzimidazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rabeprazole Sulfone
CAS Number117976-47-3
PubChem CID11740183
IUPAC Name2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfonyl]-1H-benzimidazole
Molecular FormulaC18H21N3O4S
Molecular Weight375.4
XLogP2.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity539
SMILES
CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
KNYNPBSPFHFPML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rabeprazole Sulfone
CAS: 117976-47-3
CID: 11740183
Formula: C18H21N3O4S
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass375.12527733
Monoisotopic Mass375.12527733
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
Isotope Atom Count0
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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