Olopatadine Impurity 10

CAT: 1299-RM-O162010-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162010-01Size:10 mg

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CAS Number

1206456-44-1

Synonyms

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

Molecular Formula

C24H29NO3

Molecular Weight

379.49

Target Alternative Name

Olopatadine

Product Name Synonym

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

Chemical Information

Olopatadine Isopropyl Ester

CAS Number	1206456-44-1
PubChem CID	44612420
IUPAC Name	propan-2-yl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Molecular Formula	C24H29NO3
Molecular Weight	379.5
XLogP	4.9
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	542

SMILES

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

InChI

InChI=1S/C24H29NO3/c1-17(2)28-24(26)15-18-11-12-23-22(14-18)21(10-7-13-25(3)4)20-9-6-5-8-19(20)16-27-23/h5-6,8-12,14,17H,7,13,15-16H2,1-4H3/b21-10-

InChIKey

AEZOYXJGZPHCRI-FBHDLOMBSA-N

Chemical Structure

2D Structure

CAS: 1206456-44-1

CID: 44612420

Formula: C24H29NO3

MW: 379.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.5
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	379.21474379
Monoisotopic Mass	379.21474379
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	542
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