Olopatadine Impurity 44

CAT: 1299-RM-O162044-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162044-01Size:10 mg

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CAS Number

113806-03-4

Synonyms

Ethyl (Z) -2- (11- (3- (dimethylamino) propylidene) -6,11-dihydrodibenzo[b, e]oxepin-2-yl) acetate

Molecular Formula

C23H27NO3

Molecular Weight

365.47

Target Alternative Name

Olopatadine

Product Name Synonym

Ethyl (Z) -2- (11- (3- (dimethylamino) propylidene) -6,11-dihydrodibenzo[b, e]oxepin-2-yl) acetate

Chemical Information

ethyl (Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

CAS Number	113806-03-4
PubChem CID	25056046
IUPAC Name	ethyl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Molecular Formula	C23H27NO3
Molecular Weight	365.5
XLogP	4.4
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	516

SMILES

CCOC(=O)CC1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCN(C)C

InChI

InChI=1S/C23H27NO3/c1-4-26-23(25)15-17-11-12-22-21(14-17)20(10-7-13-24(2)3)19-9-6-5-8-18(19)16-27-22/h5-6,8-12,14H,4,7,13,15-16H2,1-3H3/b20-10-

InChIKey

CTPMOZRLWGCTTL-JMIUGGIZSA-N

Chemical Structure

2D Structure

CAS: 113806-03-4

CID: 25056046

Formula: C23H27NO3

MW: 365.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.5
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	365.19909372
Monoisotopic Mass	365.19909372
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	516
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