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Olopatadine HCl

CAT: 0957-S2494Size: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S2494Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Olopatadine HCl (ALO4943A, KW4679) is a histamine blocker and mast cell stabilizer with an IC50 of 559 μM for the release of histamine.
CAS Number
140462-76-6
Synonyms
ALO4943A, KW4679
Target
Histamine Receptor
Activity
Neuronal Signaling
Molecular Formula
C21H23NO3.HCl
Storage Conditions
2 years -80 in solvent

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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Alternative Products

CatalogName
sc-478660Olopatadine
AR-O01273-01Alpha-Hydroxy Olopatadine (Olopatadine Impurity A)
B1576-50Olopatadine HCl
FO26556(E) -Olopatadine
HY-W062109SOlopatadine-d6
256102-01Olopatadine hydrochloride
sc-478568Olopatadine Methanol
RM-O162042-01Olopatadine Impurity 42 (N-Desmethyl Olopatadine)
HY-B0426A-01Olopatadine (hydrochloride)
sc-489117α-Hydroxy olopatadine

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