α-Hydroxy olopatadine hydrochloride

CAT: 0926-GDC66821-01Size: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0926-GDC66821-01Size:0.5 mg

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CAS Number

1331668-21-3

Smiles

CN (C) CCC=C1C2=CC=CC=C2COC3=C1C=C (C=C3) C (C (=O) O) O.Cl

Molecular Formula

C21H23NO4•HCl

Molecular Weight

389.9 g/mol

Controlled

Chemical Information

|A-Hydroxy Olopatadine

CAS Number	1331668-21-3
PubChem CID	71749215
IUPAC Name	2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-2-hydroxyacetic acid;hydrochloride
Molecular Formula	C21H24ClNO4
Molecular Weight	389.9
Topological Polar Surface Area	70
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	518

SMILES

CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)C(C(=O)O)O.Cl

InChI

InChI=1S/C21H23NO4.ClH/c1-22(2)11-5-8-17-16-7-4-3-6-15(16)13-26-19-10-9-14(12-18(17)19)20(23)21(24)25;/h3-4,6-10,12,20,23H,5,11,13H2,1-2H3,(H,24,25);1H/b17-8-;

InChIKey

FBDGXVLFDZCQQA-LIUCOPNQSA-N

Chemical Structure

2D Structure

CAS: 1331668-21-3

CID: 71749215

Formula: C21H24ClNO4

MW: 389.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	389.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	389.1393859
Monoisotopic Mass	389.1393859
Topological Polar Surface Area	70 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	518
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
sc-489116	α-Hydroxy olopatadine hydrochloride
TRC-H948770-1MG	Alpha-Hydroxy Olopatadine Hydrochloride
sc-489117	α-Hydroxy olopatadine
256102-01	Olopatadine hydrochloride
AR-O01273-01	Alpha-Hydroxy Olopatadine (Olopatadine Impurity A)
HY-B0426A-01	Olopatadine (hydrochloride)
469397	α-Hydroxy Olopatadine (>90%)
AR-O08857-01	Olopatadine Hydroxy Derivative
HY-B0426AS2	Olopatadine-d6 (hydrochloride)
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α-Hydroxy olopatadine hydrochloride

Chemical Information

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