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Dibenzoxepines

Description:

Compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzoxepines ⮕ Dibenzoxepines
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Items 1-12 of 19

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  1. 11-Chloro-2，3-dihydro-2-methyl-1H- dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one
      Grade & Purity: 
    • ≥98%
    Cas Number: 1012884-46-6        EC Number: 639-771-9        Compound CID:  10357298
    Formula:  C17H12ClNO2        Molecular Weight: 297.7
    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:  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
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  2. 11-Chloro-2，3，3a，12b-tetrahydro-2-methyl-1H-dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one
      Grade & Purity: 
    • ≥98%
    Cas Number: 129385-59-7        Compound CID:  54753299
    Formula:  C17H14ClNO2        Molecular Weight: 299.75
    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:  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
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  3. Org 5222
      Grade & Purity: 
    • ≥97%
    Cas Number: 1449581-64-9
    Formula:  C21H20ClNO5        Molecular Weight: 401.8
    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:  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)/show more
    Synonyms: GMDCDXMAFMEDAG-BTJKTKAUSA-N | CHEMBL3544974 | SCHEMBL6029138 | DB06216
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  4. Oxepinac
    Cas Number: 55689-65-1        Compound CID:  41531
    Formula:  C16H12O4        Molecular Weight: 268.26
    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:  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...
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  5. 2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin
    Cas Number: 22013-22-5
    Formula:  C19H19ClN2O        Molecular Weight: 326.8
    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:  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...
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  6. Details
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  7. doxepin
    Cas Number: 1668-19-5        Compound CID:  667477
    Formula:  C19H21NO        Molecular Weight: 279.38
    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:  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 | CS-0013584 | BRD-K36616567-003-01-5 | BRD-K54462405-003-16-5 | Dibenz(b,e)oxepin-de...
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  8. KW-3635
    IUPAC Name:  (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
    SMILES:  [O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2
    InChIKey: WZXFXUCKNJCHJG-ZVBGSRNCSA-M
    InChI:  InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(show more
    Synonyms: KW3635
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  9. Doxepin hydrochloride (mixture of isomers)
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1229-29-4
    Formula:  C19H21NO · HCl        Molecular Weight: 315.84
    IUPAC Name:  (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES:  CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
    InChIKey: MHNSPTUQQIYJOT-SJDTYFKWSA-N
    InChI:  InChI=1S/C19H21NO.ClH/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;1H/b17-11+;
    Synonyms: Doxepin Hydrochloride|1229-29-4|Doxepin HCl|Adapin|(e)-doxepin hydrochloride|Doxepin (Hydrochloride)|4698-39-9|Curati...
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  10. CGP 3466B maleate
      Grade & Purity: 
    • ≥99%(HPLC)
    Cas Number: 200189-97-5        Compound CID:  9821821
    Formula:  C19H17NO•C4H4O4        Molecular Weight: 391.42
    IUPAC Name:  N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methylprop-2-yn-1-amine;(Z)-but-2-enedioic acid
    SMILES:  CN(CC#C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=CC(=O)O)C(=O)O
    InChIKey: SQAZQLMBEHYFJA-BTJKTKAUSA-N
    InChI:  InChI=1S/C19H17NO.C4H4O4/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19;5-3(6)1-2-4(7)8/h1,4-11,13H,12,14H2,2H3;1-2H,(H,5,6)(H,7,8)/bshow more
    Synonyms: Dibenzo(b,f)oxepin-10-ylmethyl-methyl-prop-2-ynyl-amine maleate | MLS006010781 | N-(Dibenz[b,f]oxepin-10-ylmethyl)-N-...
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  11. 6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 55453-87-7
    Formula:  C16H12O4        Molecular Weight: 268.27
    IUPAC Name:  2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
    SMILES:  C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
    InChIKey: QFGMXJOBTNZHEL-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
    Synonyms: Isoxepac|55453-87-7|2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid|6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2...
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  12. 3-(Trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one
      Grade & Purity: 
    • ≥98%
    Cas Number: 4504-94-3        Compound CID:  57350042
    Formula:  C15H9F3O2        Molecular Weight: 278.23
    IUPAC Name:  3-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-one
    SMILES:  C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)C(F)(F)F
    InChIKey: LJXVSEITOIGFPP-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H9F3O2/c16-15(17,18)10-5-6-12-13(7-10)20-8-9-3-1-2-4-11(9)14(12)19/h1-7H,8H2
    Synonyms: 3-(trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one|4504-94-3|3-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-one|Dibenz...
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