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Benzoxepines

Description:

Organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzoxepines

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  1. Bermoprofen
    Bermoprofen
    CAS: 78499-27-1 Formula: C18H16O4 Molecular Weight: 296.3
    ≥99%
    Out of Stock Item #: B1338955
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    Technical Identifiers
    IUPAC Name
    2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoic acid
    SMILES
    CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2
    InChIKey
    REHLODZXMGOGQP-UHFFFAOYSA-N
    InChI
    1S/C18H16O4/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16/h3-8,11H,9H2,1-2H3,(H,20,21)
  2. 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
    11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
    CAS: 1012884-46-6 EC Number: 639-771-9 Formula: C17H12ClNO2 Molecular Weight: 297.74
    Solid ≥98%
    Out of Stock Item #: C710688
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    Technical Identifiers
    IUPAC Name
    17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one
    SMILES
    CN1CC2=C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
    InChIKey
    KXKUDCTZEMWVDQ-UHFFFAOYSA-N
    InChI
    1S/C17H12ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8H,9H2,1H3
    Synonyms
    11-Chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c] | 11-Chloro-2,3-dihydro-2-Methyl-1H-dibenz[2,3:6,7]ox...
  3. 11-Chloro-2，3，3a，12b-tetrahydro-2-methyl-1H-dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one
    11-Chloro-2，3，3a，12b-tetrahydro-2-methyl-1H-dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one
    CAS: 129385-59-7 PubChem CID: 54753299 Formula: C17H14ClNO2 Molecular Weight: 299.75
    ≥98%
    Out of Stock Item #: C733875
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    Technical Identifiers
    IUPAC Name
    (2S,6S)-17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
    SMILES
    CN1CC2C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
    InChIKey
    OOUVAHYYJVOIIB-CZUORRHYSA-N
    InChI
    1S/C17H14ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
  4. Benzo[b]oxepine-4-carboxylic acid
    Benzo[b]oxepine-4-carboxylic acid
    CAS: 923169-40-8 PubChem CID: 16649195 Formula: C11H8O3 Molecular Weight: 188.18
    ≥95%
    Out of Stock Item #: B728808
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    Technical Identifiers
    IUPAC Name
    1-benzoxepine-4-carboxylic acid
    SMILES
    C1=CC=C2C(=C1)C=C(C=CO2)C(=O)O
    InChIKey
    YUXCMLDLILCXJV-UHFFFAOYSA-N
    InChI
    1S/C11H8O3/c12-11(13)9-5-6-14-10-4-2-1-3-8(10)7-9/h1-7H,(H,12,13)
  5. 4，5-Dihydrobenzo[b]oxepin-2(3H)-one
    4，5-Dihydrobenzo[b]oxepin-2(3H)-one
    CAS: 3041-17-6 PubChem CID: 10975795 Formula: C10H10O2 Molecular Weight: 162.19
    ≥95%
    Out of Stock Item #: D725320
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    Technical Identifiers
    IUPAC Name
    4,5-dihydro-3H-1-benzoxepin-2-one
    SMILES
    C1CC2=CC=CC=C2OC(=O)C1
    InChIKey
    WTCFSVGBFPOLBA-UHFFFAOYSA-N
    InChI
    1S/C10H10O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6H,3,5,7H2
  6. 3,4-Dihydrobenzo[b]oxepin-5(2H)-one
    3,4-Dihydrobenzo[b]oxepin-5(2H)-one
    CAS: 6786-30-7 EC Number: 819-548-4 Formula: C10H10O2 Molecular Weight: 162.18
    ≥97%
    In Stock Item #: D697353
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    Technical Identifiers
    IUPAC Name
    3,4-dihydro-2H-1-benzoxepin-5-one
    SMILES
    C1CC(=O)C2=CC=CC=C2OC1
    InChIKey
    KNTMEDNZPJADJU-UHFFFAOYSA-N
    InChI
    1S/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
    Synonyms
    3,4-Dihydro-2H-benzo[b]oxepin-5-one
  7. 2，3，4，5-Tetrahydrobenzo[b]oxepin-5-ol
    2，3，4，5-Tetrahydrobenzo[b]oxepin-5-ol
    CAS: 20426-87-3 PubChem CID: 315576 Formula: C10H12O2 Molecular Weight: 164.2
    ≥95%
    Out of Stock Item #: T697354
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    Technical Identifiers
    IUPAC Name
    2,3,4,5-tetrahydro-1-benzoxepin-5-ol
    SMILES
    C1CC(C2=CC=CC=C2OC1)O
    InChIKey
    OJZWTYXMABCBFG-UHFFFAOYSA-N
    InChI
    1S/C10H12O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,11H,3,5,7H2
  8. Org 5222
    Org 5222
    CAS: 1449581-64-9 Formula: C21H20ClNO5 Molecular Weight: 401.8
    ≥97%
    Out of Stock Item #: C671115
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    Technical Identifiers
    IUPAC Name
    (Z)-but-2-enedioic acid;9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
    SMILES
    CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
    InChIKey
    GMDCDXMAFMEDAG-BTJKTKAUSA-N
    InChI
    1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    Synonyms
    GMDCDXMAFMEDAG-BTJKTKAUSA-N | CHEMBL3544974 | SCHEMBL6029138 | DB06216
  9. no_selection
    Oxepinac
    CAS: 55689-65-1 PubChem CID: 41531 Formula: C16H12O4 Molecular Weight: 268.26
    Out of Stock Item #: O667900
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    Technical Identifiers
    IUPAC Name
    2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid
    SMILES
    C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O
    InChIKey
    PYIHCGFQQSKYBO-UHFFFAOYSA-N
    InChI
    1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
    Synonyms
    Oxepinac | Oxepinac [INN] | 6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-acetic acid | PF3750D8AE | Oxepinaco [Spanish] | O...
  10. 2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin
    2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin
    CAS: 22013-22-5 Formula: C19H19ClN2O Molecular Weight: 326.8
    Out of Stock Item #: C667887
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    Technical Identifiers
    IUPAC Name
    1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
    SMILES
    CN1CCN(CC1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
    InChIKey
    OTKUTGIVEREJLL-UHFFFAOYSA-N
    InChI
    1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
    Synonyms
    3Y353LOH79 | 2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin | UNII-3Y353LOH79 | 2-Chloro-11-(4-methylpiperazino)di...
  12. doxepin
    doxepin
    CAS: 1668-19-5 PubChem CID: 667477 Formula: C19H21NO Molecular Weight: 279.38
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: D609957
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    Technical Identifiers
    IUPAC Name
    (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
    SMILES
    CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C
    InChIKey
    ODQWQRRAPPTVAG-GZTJUZNOSA-N
    InChI
    1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
    Synonyms
    NCGC00024623-01 | N06AA12 | 5EH | BRD-K36616567-003-01-5 | BRD-K54462405-003-16-5 | Dibenz(b,e)oxepin-delta(sup 11(6H...
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