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(E) -Olopatadine Hydrochloride

CAT: 0024-sc-478659Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-478659Size:2.5 mg
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CAS Number
949141-22-4

Chemical Information

(E)-Olopatadine Hydrochloride
CAS Number949141-22-4
PubChem CID21893738
IUPAC Name2-[(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
Molecular FormulaC21H24ClNO3
Molecular Weight373.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity488
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
InChI
InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8+;
InChIKey
HVRLZEKDTUEKQH-JUIXXEQESA-N
Chemical Structure
2D Structure
2D structure of (E)-Olopatadine Hydrochloride
CAS: 949141-22-4
CID: 21893738
Formula: C21H24ClNO3
MW: 373.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass373.1444713
Monoisotopic Mass373.1444713
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
256102-01Olopatadine hydrochloride
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A10671-100Olopatadine hydrochloride 100mg
GDC66821-01α-Hydroxy olopatadine hydrochloride
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