1,4-benzodiazepines

Description:

Organic compounds containing a benzene ring fused to a 1,4-azepine.

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  1. HZ-166
    CAS: 612527-56-7 PubChem CID: 10309028
    Out of Stock Item #: H978244
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    IUPAC Name
    ethyl 8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
    SMILES
    CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4
    InChIKey
    ZSEDMNMFODMQRD-UHFFFAOYSA-N
    InChI
    1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3
  2. Cinazepam
    CAS: 172986-25-3 Formula: C19H14BrClN2O5 Molecular Weight: 465.7
    Out of Stock Item #: C1341633
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    IUPAC Name
    4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
    SMILES
    C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCC(=O)O)Cl
    InChIKey
    NQTRBZXDWMDXAQ-UHFFFAOYSA-N
    InChI
    1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
  3. Adinazolam
    CAS: 37115-32-5 PubChem CID: 37632
    Out of Stock Item #: A1069342
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    IUPAC Name
    1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
    SMILES
    CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
    InChIKey
    GJSLOMWRLALDCT-UHFFFAOYSA-N
    InChI
    1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
  4. 7-Amino-5-(2-chloro-3,4,5,6-tetradeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
    CAS: 1215070-96-4 Formula: C15H12ClN3O Molecular Weight: 289.75
    Out of Stock Item #: A1249474
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    IUPAC Name
    7-amino-5-(2-chloro-3,4,5,6-tetradeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
    SMILES
    [2H]C1=C(C(=C(C(=C1[2H])C2=NCC(=O)NC3=C2C=C(C=C3)N)Cl)[2H])[2H]
    InChIKey
    HEFRPWRJTGLSSV-RHQRLBAQSA-N
    InChI
    1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)/i1D,2D,3D,4D
  5. 2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    CAS: 1260530-25-3 PubChem CID: 52934127
    Out of Stock Item #: R1340557
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    IUPAC Name
    2-[(4R)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    SMILES
    CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
    InChIKey
    AAAQFGUYHFJNHI-GOSISDBHSA-N
    InChI
    1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m1show more
  6. Sulazepam
    CAS: 2898-13-7 Formula: C16H13ClN2S Molecular Weight: 300.81
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    Out of Stock Item #: S1053467
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    IUPAC Name
    7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepine-2-thione
    SMILES
    CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
    InChIKey
    MWGWTOPCKLQYEU-UHFFFAOYSA-N
    InChI
    1S/C16H13ClN2S/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
  7. 3-Hydroxyphenazepam
    CAS: 70030-11-4 PubChem CID: 125820 Formula: C15H10BrClN2O2 Molecular Weight: 365.61
    Out of Stock Item #: H1360479
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    IUPAC Name
    7-bromo-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
    SMILES
    C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O)Cl
    InChIKey
    KRJKJUWAZOWXNV-UHFFFAOYSA-N
    InChI
    1S/C15H10BrClN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
  8. alpha-Hydroxytriazolam
    CAS: 37115-45-0 PubChem CID: 1963 Formula: C17H12Cl2N4O Molecular Weight: 359.21
    Out of Stock Item #: A1353788
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    IUPAC Name
    [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
    SMILES
    C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO
    InChIKey
    BHUYWUDMVCLHND-UHFFFAOYSA-N
    InChI
    1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
  9. Meclonazepam
    CAS: 58662-84-3 PubChem CID: 3033985
    Out of Stock Item #: M1016100
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    IUPAC Name
    (3S)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
    SMILES
    CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
    InChIKey
    LMUVYJCAFWGNSY-VIFPVBQESA-N
    InChI
    1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1
  10. Doxefazepam
    CAS: 40762-15-0 Formula: C17H14ClFN2O3 Molecular Weight: 348.800
    Out of Stock Item #: D1049722
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    IUPAC Name
    7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
    SMILES
    C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F
    InChIKey
    VOJLELRQLPENHL-UHFFFAOYSA-N
    InChI
    1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2
  11. 5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione
    CAS: 257891-65-9 Formula: C16H20ClN3S Molecular Weight: 321.900
    Out of Stock Item #: C991191
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    IUPAC Name
    7-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2-thione
    SMILES
    CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Cl)NC2=S
    InChIKey
    ZNFFMCYSMBXZQU-UHFFFAOYSA-N
    InChI
    1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)
  12. 5-(2-Chlorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
    CAS: 5527-71-9 PubChem CID: 528222
    Out of Stock Item #: C1352649
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    Technical Identifiers
    IUPAC Name
    5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
    SMILES
    CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl
    InChIKey
    AZVBJJDUDXZLTM-UHFFFAOYSA-N
    InChI
    1S/C16H12ClN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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