Olopatadine Impurity 66

CAT: 1299-RM-O162066-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162066-01Size:10 mg

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CAS Number

203188-31-2

Synonyms

3- (2- (carboxymethyl) dibenzo[b, e]oxepin-11 (6H) -ylidene) -N, N-dimethylpropan-1-amine oxide

Molecular Formula

C21H23NO4

Molecular Weight

353.42

Target Alternative Name

Olopatadine

Product Name Synonym

3- (2- (carboxymethyl) dibenzo[b, e]oxepin-11 (6H) -ylidene) -N, N-dimethylpropan-1-amine oxide

Chemical Information

Olopatadine N-oxide

Olopatadine N-oxide is an aryl sulfate.

CAS Number	203188-31-2
PubChem CID	9950431
IUPAC Name	(3Z)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-N,N-dimethylpropan-1-amine oxide
Molecular Formula	C21H23NO4
Molecular Weight	353.4
XLogP	3.2
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	530

SMILES

C[N+](C)(CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O)[O-]

InChI

InChI=1S/C21H23NO4/c1-22(2,25)11-5-8-18-17-7-4-3-6-16(17)14-26-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-

InChIKey

TXKZPVWYFNGMCP-LSCVHKIXSA-N

Chemical Structure

2D Structure

CAS: 203188-31-2

CID: 9950431

Formula: C21H23NO4

MW: 353.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	353.16270821
Monoisotopic Mass	353.16270821
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	530
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-O01273-01	Alpha-Hydroxy Olopatadine (Olopatadine Impurity A)
AR-M03260-01	Olopatadine Impurity 4
AR-O08833-01	Olopatadine N-Desmethyl Impurity
AR-O08844-01	Olopatadine 2-propionic acid Impurity
008695	N-Desmethyl Olopatadine Methyl Ester Trifluoroacetic Acid (Olopatadine Impurity 32)
sc-478660	Olopatadine
B1576-50	Olopatadine HCl
FO26556	(E) -Olopatadine
HY-W062109S	Olopatadine-d6
256102-01	Olopatadine hydrochloride