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Benzazepines

Description:

Organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
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  1. SCH 23390 HCl
      Grade & Purity: 
    • ≥98%
    Cas Number: 125941-87-9        Compound CID:  11957535
    Formula:  C17H18ClNO · HCl        Molecular Weight: 324.24
    IUPAC Name:  (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
    SMILES:  CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Cl.Cl
    InChIKey: OYCAEWMSOPMASE-XFULWGLBSA-N
    InChI:  InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1
  2. Iminostilbene carbonyl chloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 33948-22-0        Compound CID:  182151
    Formula:  C15H10ClNO        Molecular Weight: 255.7
    IUPAC Name:  benzo[b][1]benzazepine-11-carbonyl chloride
    SMILES:  C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)Cl
    InChIKey: APJYHXJGXDPGBA-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H10ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H
  3. Imipramine hydrochloride
    Cas Number: 113-52-0
    Formula:  C19H24N2·HCl        Molecular Weight: 316.87
    IUPAC Name:  3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES:  CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey: XZZXIYZZBJDEEP-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
  4. 8-Chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
      Grade & Purity: 
    • ≥95%
    Cas Number: 616201-80-0        Compound CID:  10465263
    IUPAC Name:  7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
    SMILES:  CC1CNCCC2=C1C=C(C=C2)Cl
    InChIKey: XTTZERNUQAFMOF-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
  5. 8-Methoxy-1H-benzo[d]azepin-2(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 85175-85-5        Compound CID:  4220093
    Formula:  C11H11NO2        Molecular Weight: 189.21
    IUPAC Name:  8-methoxy-1,3-dihydro-3-benzazepin-2-one
    SMILES:  COC1=CC2=C(C=C1)C=CNC(=O)C2
    InChIKey: OQNNFDKEVAURGV-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13)
  6. 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
      Grade & Purity: 
    • ≥98%
    Cas Number: 86499-23-2        Compound CID:  13243496
    Formula:  C10H10ClNO        Molecular Weight: 195.65
    IUPAC Name:  3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
    SMILES:  C1CC2=CC=CC=C2NC(=O)C1Cl
    InChIKey: VOEMRDMQXDUFDU-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10ClNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
  7. 1H-Benzo[d]azepin-2(3H)-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 19301-09-8        Compound CID:  4218361
    IUPAC Name:  1,3-dihydro-3-benzazepin-2-one
    SMILES:  C1C2=CC=CC=C2C=CNC1=O
    InChIKey: WUYVQJOTPXVUIS-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H9NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-6H,7H2,(H,11,12)
  8. (S)-1-Amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-onehydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 425663-71-4        Compound CID:  44178389
    Formula:  C11H15ClN2O        Molecular Weight: 226.7
    IUPAC Name:  (5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
    SMILES:  CN1CCC2=CC=CC=C2C(C1=O)N.Cl
    InChIKey: SZVBAHZVILUGKF-PPHPATTJSA-N
    InChI:  InChI=1S/C11H14N2O.ClH/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m0./s1
  9. 7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 148870-57-9        Compound CID:  19092190
    Formula:  C15H18INO3        Molecular Weight: 387.22
    IUPAC Name:  3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
    SMILES:  COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCI)OC
    InChIKey: VWPSZWNLEFZFQB-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
  10. 7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 3648-86-0        Compound CID:  4230609
    Formula:  C11H13NO2        Molecular Weight: 191.23
    IUPAC Name:  7-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
    SMILES:  COC1=CC2=C(C=C1)C(=O)NCCC2
    InChIKey: UHZFXZPXSCTPSC-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H13NO2/c1-14-9-4-5-10-8(7-9)3-2-6-12-11(10)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
  11. 7-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 22245-89-2        Compound CID:  4674196
    Formula:  C11H13NO2        Molecular Weight: 191.23
    IUPAC Name:  7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
    SMILES:  COC1=CC2=C(C=C1)NC(=O)CCC2
    InChIKey: GZRSCYDBGFKKHY-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)
  12. 7-Bromo-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
      Grade & Purity: 
    • ≥96%
    Cas Number: 3951-89-1        Compound CID:  22329108
    Formula:  C10H10BrNO        Molecular Weight: 240.1
    IUPAC Name:  7-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
    SMILES:  C1CC(=O)C2=C(C=CC(=C2)Br)NC1
    InChIKey: XIFKOJPBXZKSAZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10BrNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2
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