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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 – 4 of 4 results
1

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
2

N-Desmethyl Asenapine-d4 Hydrochloride, TRC

CAS: 1246820-54-1 Molecular Formula: C16H11D4Cl2NO Molecular Weight (g/mol): 312.23 Synonym: (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-d4 Hydrochloride SMILES: ClC1=CC2=C(C=C1)OC3=C(C=CC=C3)[C@@]4([H])[C@@]2([H])C([2H])([2H])NC4([2H])[2H].Cl

CAS 1246820-54-1
Molecular Weight (g/mol) 312.23
SMILES ClC1=CC2=C(C=C1)OC3=C(C=CC=C3)[C@@]4([H])[C@@]2([H])C([2H])([2H])NC4([2H])[2H].Cl
Synonym (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-d4 Hydrochloride
Molecular Formula C16H11D4Cl2NO
3

Olopatadine, TRC

CAS: 113806-05-6 Chemical Name or Material: Olopatadine Formula Weight: 337.1678 InChI Formula: InChI=1S/C21H23NO3/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/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8- IUPAC Name: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Molecular Formula: C21H23NO3 Molecular Weight (g/mol): 337.41 Recommended Storage: 4°C SMILES: CN(C)CC\C=C/1\c2ccccc2COc3ccc(CC(=O)O)cc13 Synonym: (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,11-[(Z)-3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,Opatanol,Pataday,Patanol

CAS 113806-05-6
Molecular Weight (g/mol) 337.41
InChI Formula InChI=1S/C21H23NO3/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/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
Chemical Name or Material Olopatadine
Synonym (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,11-[(Z)-3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid,Opatanol,Pataday,Patanol
SMILES CN(C)CC\C=C/1\c2ccccc2COc3ccc(CC(=O)O)cc13
Recommended Storage 4°C
Molecular Formula C21H23NO3
IUPAC Name 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Formula Weight 337.1678
4

(Z)-Doxepin Hydrochloride, TRC

CAS: 25127-31-5 Molecular Formula: C19H22ClNO Molecular Weight (g/mol): 315.84 Synonym: (3Z)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine Hydrochloride,(Z)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine Hydrochloride,(Z)-N,N-dimethyldibenz[b,e]oxepin-delta11(6H),gamma-propylamine Hydrochloride,Dibenz[b,e]oxepin 1-Propanamine deriv. SMILES: Cl.CN(C)CC\C=C/1\c2ccccc2COc3ccccc13

CAS 25127-31-5
Molecular Weight (g/mol) 315.84
SMILES Cl.CN(C)CC\C=C/1\c2ccccc2COc3ccccc13
Synonym (3Z)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine Hydrochloride,(Z)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine Hydrochloride,(Z)-N,N-dimethyldibenz[b,e]oxepin-delta11(6H),gamma-propylamine Hydrochloride,Dibenz[b,e]oxepin 1-Propanamine deriv.
Molecular Formula C19H22ClNO