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Benzodiazepines

Description:

Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
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  1. R1530
    Cas Number: 882531-87-5        EC Number: 809-817-4        Compound CID:  135398512
    Formula:  C18H14ClFN4O        Molecular Weight: 356.78
    IUPAC Name:  5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
    SMILES:  CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC
    InChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
    Synonyms: EX-A2311 | NSC767953 | NSC-767953 | UNII-XQJ55R5PPQ | 5-(2-Chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1,2-dihydrobenzo...
  2. AF-DX 384
    Cas Number: 118290-26-9
    Formula:  C27H38N6O2        Molecular Weight: 478.64
    IUPAC Name:  N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
    SMILES:  CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
    InChIKey: MZDYABXXPZNUCT-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,show more
    Synonyms: N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carbox...
  3. AQ-RA 741
    Cas Number: 123548-16-3
    Formula:  C27H37N5O2        Molecular Weight: 463.61
    IUPAC Name:  11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
    SMILES:  CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
    InChIKey: BCUGCHZRMKTPMU-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,show more
    Synonyms: HMS3677C12 | HMS3413C12 | 11-[[4-[4-(DIETHYLAMINO)BUTYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZ...
  4. 8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
      Grade & Purity: 
    • ≥95%
    Cas Number: 107479-55-0
    Formula:  C9H11ClN2        Molecular Weight: 182.65
    IUPAC Name:  8-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
    SMILES:  C1CNC2=C(CN1)C=CC(=C2)Cl
    InChIKey: PDJZJYRZZSOTMF-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H11ClN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11-12H,3-4,6H2
    Synonyms: 2-(Aminomethyl)-4-methyl-5(4H)-oxazolone | AKOS006287257 | AS-37262 | Q-102429 | 8-chloro-2,3,4,5-tetrahydro-1H-1,4-b...
  5. DREADD Agonist 21
      Grade & Purity: 
    • ≥98%
    Cas Number: 56296-18-5
    Formula:  C17H18N4        Molecular Weight: 278.35
    IUPAC Name:  6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES:  C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
    InChIKey: JCBYXNSOLUVGTF-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
    Synonyms: 11-(1-piperazinyl)-5H-Dibenzo[b,e][1,4]diazepine | 11-(Piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 11-Piperazinyl...
  6. Pirenzepine dihydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 29868-97-1        EC Number: 249-907-5        Compound CID:  71405
    Formula:  C19H21N5O2·2HCl        Molecular Weight: 424.32
    IUPAC Name:  11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride
    SMILES:  CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.Cl
    InChIKey: FFNMBRCFFADNAO-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H
    Synonyms: Pirenzepine dihydrochloride | SR-01000000220-2 | Bisvanil | Pirenzepine dihydrochloride, >=98% (TLC), powder | BCP124...
  7. Telenzepine dihydrochloride
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 147416-96-4        Compound CID:  6419995
    Formula:  C19H22N4O2S.2HCl        Molecular Weight: 443.39
    IUPAC Name:  1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one;dihydrochloride
    SMILES:  CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.Cl
    InChIKey: JTQJFSQQHGPLOX-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H22N4O2S.2ClH/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22;;/h3-6,12H,7-11H2,1-2H3,(H,20,25);2*1H
    Synonyms: DTXSID10423564 | J-008354 | T-122 | Prestwick_649 | SR-01000075349-1 | 10H-Thieno[3,4-b][1,5]benzodiazepin-10-one, 4,...
  8. N-desmethylclozapine
    Cas Number: 6104-71-8
    Formula:  C17H17ClN4        Molecular Weight: 312.8
    IUPAC Name:  3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES:  C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
    Synonyms: BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
  9. BMS-214662 hydrochloride
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 195981-08-9        Compound CID:  44189294
    Formula:  C25H24ClN5O2S2        Molecular Weight: 526.07
    IUPAC Name:  (3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile;hydrochloride
    SMILES:  C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5.Cl
    InChIKey: LBPFLNDUCNNGPS-GNAFDRTKSA-N
    InChI:  InChI=1S/C25H23N5O2S2.ClH/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22;/h1-11,14,18,23show more
    Synonyms: 195981-08-9|BMS-214662 hydrochloride|(R)-1-((1H-Imidazol-4-yl)methyl)-3-benzyl-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetr...
  10. Olanzapine
    Cas Number: 132539-06-1
    Formula:  C17H20N4S        Molecular Weight: 312.43
    IUPAC Name:  2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
    SMILES:  CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
    InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
    Synonyms: NSC_4585 | Olanzapine Teva | 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine | OLANZAPIN...
  11. MNI 137
    Cas Number: 946619-21-2
    Formula:  C15H9BrN4O        Molecular Weight: 341.16
    IUPAC Name:  4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
    SMILES:  C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=NC=C3)C#N
    InChIKey: KMKZCMKOSAKVGY-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)
    Synonyms: 4-(8-Bromo-2,3-dihydro-2-oxo-1H-1,5-benzodiazepin-4-yl)-2-pyridinecarbonitrile | 4-(7-bromo-4-hydroxy-3H-benzo[b][1,4...
  12. Ro 15-4513
    Cas Number: 91917-65-6        Compound CID:  5081
    Formula:  C15H14N6O3        Molecular Weight: 326.31
    IUPAC Name:  ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
    SMILES:  CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C
    InChIKey: CFSOJZTUTOQNIA-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
    Synonyms: BRD-K82823076-001-01-8 | CS-0027980 | UNII-S5XGL82O5Y | [3H]Ro154513 | [3H]Ro15-4513 | Ro 154513 | Ro 15-4513 | 4H-Im...
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