| CAS Number | 949141-22-4 |
| Catalog Number | AG01CBWD(AGN-PC-0WH327) |
| Chemical Name | (E)-Olopatadine Hydrochloride |
| IUPAC Name | 2-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride |
| InChI | InChI=1S/C21H25NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3,(H,23,24);1H |
| InChI Key | NCPHSECCRALANY-UHFFFAOYSA-N |
| Molecular Formula | C21H24ClNO3 |
| Molecular Weight | 373.8732 |
| SMILES | Cl.CN(C)CCC=C1/c2ccccc2COc3ccc(CC(=O)O)cc13 |
| Synonyms | (E)-Olopatadine Hydrochloride,
949141-22-4,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.893g/mol |
| Monoisotopic Mass | 375.16g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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