alpha-Hydroxyolopatadine

Base Information

• Chemical Name: alpha-Hydroxyolopatadine
• CAS No.: 1331822-32-2
• Molecular Formula: C21H23NO4
• Molecular Weight: 353.4
• UNII: V7H6ZA5GDW
• Wikidata: Q21546934
• Mol file: 1331822-32-2.mol

Synonyms:alpha-Hydroxyolopatadine;1331822-32-2;alpha-Hydroxy olopatadine;UNII-V7H6ZA5GDW;V7H6ZA5GDW;(+/-)- alpha-Hydroxy olopatadine;(Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,E)oxepin-2-yl(-2-hydroxyacetic acid;Olopatadine hydrochloride impurity, alpha-hydroxy olopatadine- [USP];2- hydroxyl olopatadine hydrochloride iMpurity;Dibenz(b,E)oxepin-2-acetic acid, 11-(3-(dimethylamino)propylidene)-6,11-dihydro-alpha-hydroxy-;2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-2-hydroxyacetic acid;alpha -Hydroxy olopatadine;.ALPHA.-HYDROXYOLOPATADINE;.ALPHA.-HYDROXY OLOPATADINE;alpha-Hydroxy Olopatadine (>90per cent);(+/-)- .ALPHA.-HYDROXY OLOPATADINE;J-006322;Q21546934;OLOPATADINE HYDROCHLORIDE IMPURITY, .ALPHA.-HYDROXY OLOPATADINE- [USP IMPURITY];11-[3-(Dimethylamino)propylidene]-6,11-dihydro-alpha-hydroxy-dibenz[b,e]oxepin-2-acetic Acid;DIBENZ(B,E)OXEPIN-2-ACETIC ACID, 11-(3-(DIMETHYLAMINO)PROPYLIDENE)-6,11-DIHYDRO-.ALPHA.-HYDROXY-

Chemical Property of alpha-Hydroxyolopatadine

Chemical Property:

• PKA: 3.45±0.11(Predicted)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 353.16270821
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

α-HydroxyOlopatadine(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(C(=O)O)O
• Isomeric SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)C(C(=O)O)O