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Omeprazole Hydroxymethyl HCl

CAT: 1596-AR-O08806-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O08806-01Size:50 Units
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CAS Number
96300-88-8
Synonyms
2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine Hydrochloride
Molecular Formula
C9H13NO2.ClH
API Name
Omeprazole

Chemical Information

3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine hydrochloride
CAS Number96300-88-8
PubChem CID18459077
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride
Molecular FormulaC9H14ClNO2
Molecular Weight203.66
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity140
SMILES
CC1=CN=C(C(=C1OC)C)CO.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-6-4-10-8(5-11)7(2)9(6)12-3;/h4,11H,5H2,1-3H3;1H
InChIKey
QDZLOVCSHPNYIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine hydrochloride
CAS: 96300-88-8
CID: 18459077
Formula: C9H14ClNO2
MW: 203.66
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass203.0713064
Monoisotopic Mass203.0713064
Topological Polar Surface Area42.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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