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Rabeprazole Sodium Impurity S

CAT: 1299-RM-R021619-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R021619-01Size:10 mg
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CAS Number
1246818-79-0
Synonyms
N-[[4- (3-Methoxypropoxy) -3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfone
Molecular Formula
C29H36N4O6S
Molecular Weight
568.68
Target Alternative Name
Rabeprazole
Product Name Synonym
N-[[4- (3-Methoxypropoxy) -3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfone

Chemical Information

N-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfone
CAS Number1246818-79-0
PubChem CID124490368
IUPAC Name1-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfonyl]benzimidazole
Molecular FormulaC29H36N4O6S
Molecular Weight568.7
XLogP3.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count40
Formal Charge0
Complexity845
SMILES
CC1=C(C=CN=C1CN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=NC=CC(=C4C)OCCCOC)OCCCOC
InChI
InChI=1S/C29H36N4O6S/c1-21-24(30-13-11-27(21)38-17-7-15-36-3)19-33-26-10-6-5-9-23(26)32-29(33)40(34,35)20-25-22(2)28(12-14-31-25)39-18-8-16-37-4/h5-6,9-14H,7-8,15-20H2,1-4H3
InChIKey
HFKLERWHDSXYIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfone
CAS: 1246818-79-0
CID: 124490368
Formula: C29H36N4O6S
MW: 568.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass568.23555605
Monoisotopic Mass568.23555605
Topological Polar Surface Area123 Ų
Heavy Atom Count40
Formal Charge0
Complexity845
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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