methyl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate

Base Information

• Chemical Name: methyl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
• CAS No.: 113806-01-2
• Molecular Formula: C₂₂H₂₅NO₃
• Molecular Weight: 351.445
• DSSTox Substance ID: DTXSID30861222
• Nikkaji Number: J3.098.071I
• Mol file: 113806-01-2.mol

Synonyms:113806-01-2;SCHEMBL2758646;SCHEMBL4105413;DTXSID30861222;UGDFSHGFPJSALM-OCKHKDLRSA-N;{11-[3-dimethylamino-prop-(z)-ylidene]-6,11-dihydro-dibenz[b,e]oxepin-2-yl}-acetic acid methyl ester;Methyl ((11Z)-11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate;methyl 2-{11-[(z)-3-(dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetate;Olopatadine Methyl Ester;(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid methyl ester;Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, methyl ester, (Z)-

Chemical Property of methyl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 351.18344366
• Heavy Atom Count: 26
• Complexity: 502

Purity/Quality:

98% HPLC ^*data from raw 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)CC(=O)OC
• Isomeric SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)OC