Piperazinoazepines

Description:

Compounds containing a piperazinoazepine skeleton, which consists of an azepine ring fused to a piperazine.

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  1. Esmirtazapine
    CAS: 61337-87-9 PubChem CID: 3085218 Formula: C17H19N3 Molecular Weight: 265.35
    Out of Stock Item #: E1061760
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    Technical Identifiers
    IUPAC Name
    (7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    SMILES
    CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
    InChIKey
    RONZAEMNMFQXRA-MRXNPFEDSA-N
    InChI
    1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1
  2. Esmirtazapine maleate
    CAS: 680993-85-5 Formula: C21H23N3O4 Molecular Weight: 381.4
    Out of Stock Item #: E671017
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    Technical Identifiers
    IUPAC Name
    (Z)-but-2-enedioic acid;(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    SMILES
    CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4.C(=CC(=O)O)C(=O)O
    InChIKey
    RPUBHMMISKEXSR-MLCLTIQSSA-N
    InChI
    1S/C17H19N3.C4H4O4/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;5-3(6)1-2-4(7)8/h2-8,16H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-show more
    Synonyms
    Esmirtazapine maleate | CHEMBL2107339 | Mirtazapine maleate, (s)- | UNII-I2U18E6JKA | (+)-(14BS)-2-METHYL-1,2,3,4,10,...
  3. Mirtazapine
    CAS: 85650-52-8 EC Number: 288-060-6 Formula: C17H19N3 Molecular Weight: 265.35
    In Stock Item #: M129297
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    Technical Identifiers
    IUPAC Name
    5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    SMILES
    CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
    InChIKey
    RONZAEMNMFQXRA-UHFFFAOYSA-N
    InChI
    1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
    Synonyms
    1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c](2)benzazepine | Avanza | CCG-220556 | Mirtazapine (JAN/...
  4. Mirtazapine
    CAS: 61337-67-5 EC Number: 641-354-1 Formula: C17H19N3 Molecular Weight: 265.35
    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 #: M304141
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    Technical Identifiers
    IUPAC Name
    5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    SMILES
    CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
    InChIKey
    RONZAEMNMFQXRA-UHFFFAOYSA-N
    InChI
    1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
    Synonyms
    1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c](2)benzazepine | Avanza | CCG-220556 | Mirtazapine (JAN/...
  5. Mirtazapine-d3
    CAS: 1216678-68-0 Formula: C17H16D3N3 Molecular Weight: 268.38
    In Stock Item #: M334679
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    Technical Identifiers
    IUPAC Name
    5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    SMILES
    CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
    InChIKey
    RONZAEMNMFQXRA-FIBGUPNXSA-N
    InChI
    1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/i1D3
    Synonyms
    DTXSID90662131 | HY-B0352S | 5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,1...
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