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Olopatadine HCl

CAT: 0926-FO29183-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FO29183-01Size:250 mg
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CAS Number
140462-76-6
MDL Number
MFCD00875716
Smiles
CN (C) CC/C=C\1/C2=CC=CC=C2COC3=C1C=C (C=C3) CC (=O) O.Cl
Molecular Formula
C21H24ClNO3
Molecular Weight
373.87 g/mol
Controlled
No

Chemical Information

Olopatadine Hydrochloride

Olopatadine hydrochloride is a dibenzooxazepine.

CAS Number140462-76-6
PubChem CID5282402
IUPAC Name2-[(11Z)-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-NOILCQHBSA-N
Chemical Structure
2D Structure
2D structure of Olopatadine Hydrochloride
CAS: 140462-76-6
CID: 5282402
Formula: C21H24ClNO3
MW: 373.9
Interactive 3D Structure
Loading 3D structure...
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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