4-Hydroxy Omeprazole Sulfone

CAT: 0024-sc-489151Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-489151Size:5 mg

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CAS Number

1346600-70-1

Chemical Information

4-Hydroxy Omeprazole Sulfone

CAS Number	1346600-70-1
PubChem CID	71749232
IUPAC Name	2-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-3,5-dimethyl-1H-pyridin-4-one
Molecular Formula	C16H17N3O4S
Molecular Weight	347.4
XLogP	1.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	693

SMILES

CC1=CNC(=C(C1=O)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C16H17N3O4S/c1-9-7-17-14(10(2)15(9)20)8-24(21,22)16-18-12-5-4-11(23-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)

InChIKey

HWHFLYQGCHSJID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346600-70-1

CID: 71749232

Formula: C16H17N3O4S

MW: 347.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.4
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	347.09397721
Monoisotopic Mass	347.09397721
Topological Polar Surface Area	110 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	693
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
sc-394080	4-Hydroxy Omeprazole Sulfide
sc-480240	4-Acetyloxy omeprazole sulfone
sc-212477	Omeprazole Sulfone
sc-216824	4-Desmethoxy-4-nitro Omeprazole Sulfone
sc-219488	Omeprazole-d3 Sulfone
sc-505299	4-Hydroxy Omeprazole, Preparation Kit (Contains 4-Hydroxy Omeprazole Sulfide and m-Chloroperoxybenzoic Acid)
sc-208131	Omeprazole Sulfone N-Oxide
sc-488567	5-Hydroxy Omeprazole
sc-477427	Omeprazole Sulfone 3-Methyl Acetate
sc-488826	(S) -5-Hydroxy Omeprazole

Catalog	Name
MBS6074347-01	4-Hydroxy Omeprazole Sulfone
AR-O01370-01	5-Hydroxy Omeprazole Sulfone
AR-O01313-01	5-Hydroxy Omeprazole-d3 Sulfone
001200	4-Acetyloxy Omeprazole Sulfone
008503	4-Desmethoxy-4-nitro Omeprazole Sulfone
O6300-03A	Omeprazole-d3 Sulfone (Omeprazole Sulfone, 5-Methoxy-d3-2-[[ (4-methoxy-3,5-dimethyl-2-pyridinyl) methyl]sulfonyl]-_x000B_1H-benzimidazole)
MBS6027931-01	Omeprazole-d3 Sulfone (Omeprazole Sulfone, 5-Methoxy-d3-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole)
TRC-M262320-100MG	N-(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl Omeprazole Sulfone
IM158400-01	N- (4-Methoxy-3,5-dimethyl-2-pyridinyl) methyl omeprazole sulfone
C3471-5	Omeprazole sulfone