Olopatadine N-oxide

CAT: 0926-YGA17407Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-YGA17407Size:25 mg

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CAS Number

173174-07-7

MDL Number

MFCD15071317

Smiles

CC1=CC (=C (C=C1) OCC (=O) NC2=CC3=C (C (=C2) C) N=C (S3) N) C

Molecular Formula

C21H23NO4

Molecular Weight

353.4 g/mol

Controlled

Chemical Information

Olopatadine N-oxide

Olopatadine N-oxide is an aryl sulfate.

CAS Number	173174-07-7
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: 173174-07-7

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
FD21302-01	N-Desmethyl olopatadine
FO26556	(E) -Olopatadine
FO29183-01	Olopatadine HCl
NEA80571-01	Olopatadine methyl ester
GDC66821-01	α-Hydroxy olopatadine hydrochloride
FO158828-01	(E) -Olopatadine hydrochloride
DD12118-01	N, N-Dimethyldodecylamine N-oxide
FD36367-01	N, N-Dimethyldecylamine-N-oxide
JVB81571-01	Pimavanserin N-oxide
IL24840-01	Lansoprazole N-oxide

Catalog	Name
TRC-O575010-5MG	Olopatadine N-Oxide
TRC-O575012-1MG	Olopatadine-d3 N-Oxide
RM-O162042-01	Olopatadine Impurity 42 (N-Desmethyl Olopatadine)
TRC-D292190-2.5MG	N-Desmethyl Olopatadine
CS-O-42064	N-Nitroso N-Desmethyl Olopatadine
HY-W741222S	N-Desmethyl Olopatadine-d6
RM-O162052-01	N-Nitroso-Desmethyl-Olopatadine
AR-O01277-01	N-Didesmethyl Olopatadine HCl
AR-O09030-01	N-Nitroso-N-Desmethyl Olopatadine
TRC-O575993-10MG	N-Nitroso Desmethyl Olopatadine