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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

Olopatadine N-Oxide, TRC

CAS: 173174-07-7 Molecular Formula: C21 H23 N O4 Molecular Weight (g/mol): 353.41 IUPAC Name: (3Z)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-N,N-dimethylpropan-1-amine oxide SMILES: C[N](CC/C=C1C(C=C(CC(O)=O)C=C2)=C2OCC3=CC=CC=C\13)(C)=O

CAS 173174-07-7
Molecular Weight (g/mol) 353.41
SMILES C[N](CC/C=C1C(C=C(CC(O)=O)C=C2)=C2OCC3=CC=CC=C\13)(C)=O
IUPAC Name (3Z)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-N,N-dimethylpropan-1-amine oxide
Molecular Formula C21 H23 N O4
2

Asenapine N-Oxide, TRC

CAS: 128949-51-9 Molecular Formula: C17 H16 Cl N O2 Molecular Weight (g/mol): 301.77 Synonym: (3aR-trans)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole 2-Oxide; IUPAC Name: (2R,6R)-9-chloro-4-methyl-4-oxido-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene SMILES: C[N+]1([O-])CC2C(C1)c3cc(Cl)ccc3Oc4ccccc24

CAS 128949-51-9
Molecular Weight (g/mol) 301.77
SMILES C[N+]1([O-])CC2C(C1)c3cc(Cl)ccc3Oc4ccccc24
Synonym (3aR-trans)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole 2-Oxide;
IUPAC Name (2R,6R)-9-chloro-4-methyl-4-oxido-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
Molecular Formula C17 H16 Cl N O2
3

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