Rabeprazole Sodium Impurity Q

CAT: 1299-RM-R021617-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R021617-01Size:10 mg

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CAS Number

1159977-27-1

Synonyms

4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfone

Molecular Formula

C14H11ClN3O2S

Molecular Weight

320.77

Target Alternative Name

Rabeprazole

Product Name Synonym

4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfone

Chemical Information

4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfone

CAS Number	1159977-27-1
PubChem CID	46781147
IUPAC Name	2-[(4-chloro-3-methyl-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
Molecular Formula	C14H12ClN3O2S
Molecular Weight	321.8
XLogP	2.5
Topological Polar Surface Area	84.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	467

SMILES

CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)Cl

InChI

InChI=1S/C14H12ClN3O2S/c1-9-10(15)6-7-16-13(9)8-21(19,20)14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18)

InChIKey

ACKATQAAEKWYKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159977-27-1

CID: 46781147

Formula: C14H12ClN3O2S

MW: 321.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.8
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	321.0338755
Monoisotopic Mass	321.0338755
Topological Polar Surface Area	84.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R021629-01	Rabeprazole EP Impurity I ; Rabeprazole Sodium Impurity C
RM-R021624-01	Rabeprazole Sodium Impurity X
RM-R021623-01	Rabeprazole Sodium Impurity W
RM-R021616-01	Rabeprazole Sodium Impurity P
RM-R021622-01	Rabeprazole Sodium Impurity V
RM-R021621-01	Rabeprazole Sodium Impurity U
RM-R021620-01	Rabeprazole Sodium Impurity T
RM-R021619-01	Rabeprazole Sodium Impurity S
RM-R021610-01	Rabeprazole USP Rc D; Rabeprazole Sodium EP Impurity A
RM-R021602-01	Rabeprazole Sodium EP Impurity D

Catalog	Name
HY-B0656A-01	Rabeprazole (sodium)
C10324-20mg	Rabeprazole sodium
sc-208255	Rabeprazole Sodium Salt
HY-B0656AS1-01	Rabeprazole-d3 (sodium)
IR183125-01	(S) -Rabeprazole sodium
CS-O-02936	Rabeprazole-d4 Sodium
WGA44018-01	(R) -Rabeprazole sodium
HY-B0656AR-01	Rabeprazole (sodium) (Standard)
HY-B0656AS-01	Rabeprazole-d4 (sodium)
AR-R10189-01	Rabeprazole Impurity 19