Olopatadine Impurity 19

CAT: 1299-RM-O162019-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162019-01Size:10 mg

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CAS Number

1253179-74-6

Synonyms

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

Molecular Formula

C25H31NO3

Molecular Weight

393.52

Target Alternative Name

Olopatadine

Product Name Synonym

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

Chemical Information

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

CAS Number	1253179-74-6
PubChem CID	49764236
IUPAC Name	butyl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Molecular Formula	C25H31NO3
Molecular Weight	393.5
XLogP	5.3
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	544

SMILES

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

InChI

InChI=1S/C25H31NO3/c1-4-5-15-28-25(27)17-19-12-13-24-23(16-19)22(11-8-14-26(2)3)21-10-7-6-9-20(21)18-29-24/h6-7,9-13,16H,4-5,8,14-15,17-18H2,1-3H3/b22-11-

InChIKey

RYXKBOVCOLLBEH-JJFYIABZSA-N

Chemical Structure

2D Structure

CAS: 1253179-74-6

CID: 49764236

Formula: C25H31NO3

MW: 393.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	393.23039385
Monoisotopic Mass	393.23039385
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	544
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

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Alternative Products

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

Olopatadine Impurity 19

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