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Benzoxepines

Organic heterocyclic compounds that consist of benzene fused with an oxepines; oxepines are a seven-membered ring with one oxygen atom, six carbon atoms, and three double bonds.

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1

(E)-Olopatadine Hydrochloride, TRC

CAS: 949141-22-4 Molecular Formula: C21 H23 N O3 . Cl H Molecular Weight (g/mol): 373.87 Synonym: (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid Hydrochloride (1:1),(E)-Olopatadine Hydrochloride IUPAC Name: 2-[(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride SMILES: Cl.CN(C)CC\C=C\1/c2ccccc2COc3ccc(CC(=O)O)cc13

CAS 949141-22-4
Molecular Weight (g/mol) 373.87
SMILES Cl.CN(C)CC\C=C\1/c2ccccc2COc3ccc(CC(=O)O)cc13
Synonym (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid Hydrochloride (1:1),(E)-Olopatadine Hydrochloride
IUPAC Name 2-[(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
Molecular Formula C21 H23 N O3 . Cl H
2

11-[3-(Dimethylamino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol, TRC

CAS: 4504-88-5 Molecular Formula: C19 H23 N O2 Molecular Weight (g/mol): 297.39 Synonym: (11RS)-11-[3-(Dimethylamino)-propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol,Doxepin Hydrochloride Imp. B (EP),Doxepinol IUPAC Name: 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol SMILES: CN(C)CCCC1(O)c2ccccc2COc3ccccc13

CAS 4504-88-5
Molecular Weight (g/mol) 297.39
SMILES CN(C)CCCC1(O)c2ccccc2COc3ccccc13
Synonym (11RS)-11-[3-(Dimethylamino)-propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol,Doxepin Hydrochloride Imp. B (EP),Doxepinol
IUPAC Name 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
Molecular Formula C19 H23 N O2
3

(Z)-11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepine-2-carbaldehyde Hydrochloride, TRC

Molecular Formula: C20 H21 N O2 . Cl H Molecular Weight (g/mol): 343.8472 Synonym: Olopatadine Carbaldehyde Hydrochloride,Olopatadine Related Compound,Olopatadine Carbaldehyde (Z)-Isomer; IUPAC Name: (11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carbaldehyde;hydrochloride SMILES: Cl.CN(C)CC\C=C/1\c2ccccc2COc3ccc(C=O)cc13

Molecular Weight (g/mol) 343.8472
SMILES Cl.CN(C)CC\C=C/1\c2ccccc2COc3ccc(C=O)cc13
Synonym Olopatadine Carbaldehyde Hydrochloride,Olopatadine Related Compound,Olopatadine Carbaldehyde (Z)-Isomer;
IUPAC Name (11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carbaldehyde;hydrochloride
Molecular Formula C20 H21 N O2 . Cl H