Metabolite Olopatadine N-oxide

Name

Olopatadine N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

UWI9F1YFCM

CAS number

Not Available

Weight

Average: 353.4116
Monoisotopic: 353.162708229

Chemical Formula

C₂₁H₂₃NO₄

InChI Key

TXKZPVWYFNGMCP-LSCVHKIXSA-N

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-

IUPAC Name

3-[(2Z)-5-(carboxymethyl)-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene]-N,N-dimethylpropanamine oxide

SMILES

C[N+](C)([O-])CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-002u-9088000000-09605686c9a9a2ae9698

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	203.266593	predicted	DarkChem Lite v0.1.0
[M-H]-	177.03041	predicted	DeepCCS 1.0 (2019)
[M+H]+	204.205393	predicted	DarkChem Lite v0.1.0
[M+H]+	179.38841	predicted	DeepCCS 1.0 (2019)
[M+Na]+	203.570793	predicted	DarkChem Lite v0.1.0
[M+Na]+	185.48155	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties