Omeprazole EP Impurity I

CAT: 1299-RM-O132309-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O132309-01Size:10 mg

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CAS Number

158812-85-2

Synonyms

4-methoxy-2- (((5-methoxy-1H-benzo[d]imidazol-2-yl) sulfonyl) methyl) -3,5-dimethylpyridine 1-oxide

Molecular Formula

C17H19N3O5S

Molecular Weight

377.41

Target Alternative Name

Omeprazole

Product Name Synonym

4-methoxy-2- (((5-methoxy-1H-benzo[d]imidazol-2-yl) sulfonyl) methyl) -3,5-dimethylpyridine 1-oxide

Chemical Information

Omeprazole sulfone N-oxide

CAS Number	158812-85-2
PubChem CID	21256701
IUPAC Name	6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfonyl]-1H-benzimidazole
Molecular Formula	C17H19N3O5S
Molecular Weight	377.4
XLogP	1.2
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	583

SMILES

CC1=C[N+](=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-10-8-20(21)15(11(2)16(10)25-4)9-26(22,23)17-18-13-6-5-12(24-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)

InChIKey

ZBGMHRIYIGAEGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158812-85-2

CID: 21256701

Formula: C17H19N3O5S

MW: 377.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.4
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	377.10454189
Monoisotopic Mass	377.10454189
Topological Polar Surface Area	115 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	583
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-O132301-01	Omeprazole EP Impurity A; Esomeprazole EP Impurity A
RM-O132308-01	Omeprazole EP Impurity H
RM-O132306-01	Omeprazole EP Impurity F
RM-O132307-01	Omeprazole EP Impurity G
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole EP Impurity D
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-O132303-01	Omeprazole EP Impurity C; Esomeprazole EP Impurity C
RM-O132302-01	Omeprazole EP Impurity B; Esomeprazole EP Impurity B
RM-T162009-01	Tryptophan EP Impurity I; N-Acetyltryptophan EP Impurity I
RM-V010309-01	Aciclovir EP Impurity A; Valaciclovir EP Impurity I