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5-Hydroxy Omeprazole Sulfone

CAT: 0572-TRC-H948868-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948868-50MGSize:50 mg
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CAS Number
151602-51-6
Synonyms
5-Hydroxy Omeprazole Sulfone
Hazard Statement
No Data Available
Smiles
COc1ccc2[nH]c(nc2c1)S(=O)(=O)Cc3ncc(CO)c(OC)c3C
Molecular Formula
C17 H19 N3 O5 S
Molecular Weight
377.415
InChI
InChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
Additionnal Information
IUPAC name: [4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methylpyridin-3-yl]methanol
Shipping Conditions
Room Temperature

Chemical Information

3-Pyridinemethanol, 4-methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfonyl)methyl)-5-methyl-
CAS Number151602-51-6
PubChem CID71587531
IUPAC Name[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol
Molecular FormulaC17H19N3O5S
Molecular Weight377.4
XLogP1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity569
SMILES
CC1=C(C(=CN=C1CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC
InChI
InChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKey
NXSJDCMGNOAVHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinemethanol, 4-methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfonyl)methyl)-5-methyl-
CAS: 151602-51-6
CID: 71587531
Formula: C17H19N3O5S
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass377.10454189
Monoisotopic Mass377.10454189
Topological Polar Surface Area123 Ų
Heavy Atom Count26
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes