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Rabeprazole Sodium Impurity X

CAT: 1299-RM-R021624-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R021624-01Size:10 mg
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CAS Number
171440-18-9
Synonyms
(R) - (+) -Rabeprazole sodium
Molecular Formula
C18H22N3NaO3S
Molecular Weight
383.44
Target Alternative Name
Rabeprazole
Product Name Synonym
(R) - (+) -Rabeprazole sodium

Chemical Information

Dexrabeprazole sodium
CAS Number171440-18-9
PubChem CID10786084
IUPAC Namesodium 2-[(R)-[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=C1C[S@@](=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/t25-;/m1./s1
InChIKey
KRCQSTCYZUOBHN-VQIWEWKSSA-N
Chemical Structure
2D Structure
2D structure of Dexrabeprazole sodium
CAS: 171440-18-9
CID: 10786084
Formula: C18H20N3NaO3S
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes