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Rabeprazole Sodium Salt

CAT: 0572-TRC-R070500-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R070500-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117976-90-6
Synonyms
1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1); 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (9CI); 2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt; Aciphex; E 3810; LY 307640 sodium; Pariet; Pariprazole; Pepcia; Rabeprazole sodium; Rabicip; Razo; Rabeprazole Sodium Imp. B (EP); Rabeprazole Imp. B (EP); Rabeprazole USP Related Compound E; Rabeprazole USP RC E
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
Molecular Formula
C18 H20 N3 O3 S . Na
Molecular Weight
381.42
InChI
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
Additionnal Information
IUPAC name: sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rabeprazole Sodium

Rabeprazole sodium is an organic sodium salt. It contains a rabeprazole(1-).

CAS Number117976-90-6
PubChem CID14720269
IUPAC Namesodium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
Molecular FormulaC18H20N3NaO3S
Molecular Weight381.4
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity446
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
InChI
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
InChIKey
KRCQSTCYZUOBHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rabeprazole Sodium
CAS: 117976-90-6
CID: 14720269
Formula: C18H20N3NaO3S
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass381.11230696
Monoisotopic Mass381.11230696
Topological Polar Surface Area81.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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