Rabeprazole Impurity 34

CAT: 1299-RM-R021634-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R021634-04Size:100 mg

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CAS Number

117976-91-7

Synonyms

3- ((2- (((1H-benzo[d]imidazol-2-yl) thio) methyl) -3-methylpyridin-4-yl) oxy) propan-1-ol

Molecular Formula

C17H19N3O2S

Molecular Weight

329.42

Target Alternative Name

Rabeprazole

Product Name Synonym

3- ((2- (((1H-benzo[d]imidazol-2-yl) thio) methyl) -3-methylpyridin-4-yl) oxy) propan-1-ol

Chemical Information

Desmethyl rabeprazole thioether

CAS Number	117976-91-7
PubChem CID	15166260
IUPAC Name	3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridinyl]oxy]propan-1-ol
Molecular Formula	C17H19N3O2S
Molecular Weight	329.4
XLogP	2.8
Topological Polar Surface Area	96.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	361

SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCO

InChI

InChI=1S/C17H19N3O2S/c1-12-15(18-8-7-16(12)22-10-4-9-21)11-23-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-8,21H,4,9-11H2,1H3,(H,19,20)

InChIKey

WKTPBAPTLLDMKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117976-91-7

CID: 15166260

Formula: C17H19N3O2S

MW: 329.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	329.11979803
Monoisotopic Mass	329.11979803
Topological Polar Surface Area	96.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	361
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-R021635-01	Rabeprazole Impurity 35
RM-R021657-01	Rabeprazole Impurity 57
RM-R021651-01	Rabeprazole Impurity 51
RM-R021660-01	Rabeprazole Impurity 60
RM-R021656-01	Rabeprazole Impurity 56
RM-R021647-01	Rabeprazole Impurity 47
RM-R021648-01	Rabeprazole Impurity 48
RM-R021640-01	Rabeprazole Impurity 40
RM-R021655-01	Rabeprazole Impurity 55