Omeprazole

CAT: 1489-O7830-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-O7830-01Size:1 g

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CAS Number

73590-58-6

Chemical Information

Omeprazole

6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is a sulfoxide and a member of benzimidazoles.

CAS Number	73590-58-6
PubChem CID	4594
IUPAC Name	6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Molecular Formula	C17H19N3O3S
Molecular Weight	345.4
XLogP	2.2
Topological Polar Surface Area	96.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	453

SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

InChIKey

SUBDBMMJDZJVOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73590-58-6

CID: 4594

Formula: C17H19N3O3S

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	345.11471265
Monoisotopic Mass	345.11471265
Topological Polar Surface Area	96.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	453
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP08454-01	Omeprazole metabolite Omeprazole sulfone
A2845-5	Omeprazole