Esomeprazole Sodium Impurity 9

CAT: 1299-RM-E151325-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E151325-01Size:10 mg

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CAS Number

1346600-29-0

Synonyms

5-methoxy-1- ((4-methoxy-3,5-dimethylpyridin-2-yl) methyl) -2- (((4-methoxy-3,5-dimethylpyridin-2-yl) methyl) thio) -1H-benzo[d]imidazole

Molecular Formula

C26H30N4O3S

Molecular Weight

478.61

Target Alternative Name

Esomeprazole

Product Name Synonym

5-methoxy-1- ((4-methoxy-3,5-dimethylpyridin-2-yl) methyl) -2- (((4-methoxy-3,5-dimethylpyridin-2-yl) methyl) thio) -1H-benzo[d]imidazole

Chemical Information

5-Methoxy-1-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole

CAS Number	1346600-29-0
PubChem CID	71750070
IUPAC Name	5-methoxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazole
Molecular Formula	C26H30N4O3S
Molecular Weight	478.6
XLogP	4.7
Topological Polar Surface Area	96.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	34
Formal Charge	0
Complexity	645

SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C=C(C=C3)OC)N=C2SCC4=NC=C(C(=C4C)OC)C

InChI

InChI=1S/C26H30N4O3S/c1-15-11-27-21(17(3)24(15)32-6)13-30-23-9-8-19(31-5)10-20(23)29-26(30)34-14-22-18(4)25(33-7)16(2)12-28-22/h8-12H,13-14H2,1-7H3

InChIKey

JXYBCOHKOMSIIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346600-29-0

CID: 71750070

Formula: C26H30N4O3S

MW: 478.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	478.6
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	478.20386201
Monoisotopic Mass	478.20386201
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	645
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-E151318-01	Esomeprazole Impurity 9
RM-O132314-01	(R) -Omeprazole; Esomeprazole magnesium EP Impurity F; Esomeprazole sodium EP Impurity B
RM-E151317-01	Esomeprazole Impurity 8
RM-E151399-01	Esomeprazole Impurity 99
RM-E151397-01	Esomeprazole Impurity 97
RM-E151394-01	Esomeprazole Impurity 94
RM-E151392-01	Esomeprazole Impurity 92
RM-E151385-01	Esomeprazole Impurity 85
RM-E151310-01	Esomeprazole Impurity 1
RM-E151330-01	Esomeprazole Impurity 13