Dibenzodiazepines

Description:

Compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzodiazepines ⮕ Dibenzodiazepines

5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
- ≥98%
Cas Number: 5814-41-5 Compound CID: 201327

Formula: C₁₃H₁₀N₂O Molecular Weight: 210.24

IUPAC Name: 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

SMILES: C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2

InChIKey: KVVFXAAMMFTLGN-UHFFFAOYSA-N

InChI: InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h1-8,14H,(H,15,16)

Synonyms: 5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | 5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
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2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
Cas Number: 1977-08-8 Compound CID: 16104

Formula: C₁₈H₁₉ClN₄ Molecular Weight: 326.8

IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)Cl

InChIKey: APOMSSAGEAOUGO-UHFFFAOYSA-N

InChI: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Synonyms: ISOCLOZAPINE | 2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine | 4Q6V732VRT | 8-chloro-6-(4-methyl...

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Deschloroclozapine
- ≥99%
Cas Number: 1977-07-7 Compound CID: 16103

Formula: C₁₈H₂₀N₄ Molecular Weight: 292.4

IUPAC Name: 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42

InChIKey: VQHITFFJBFOMBG-UHFFFAOYSA-N

InChI: InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3

Synonyms: BRN 0761696 | C18H20N4 | C73760 | VQHITFFJBFOMBG-UHFFFAOYSA-N | Deschloroclozapine | HB8555 | 6-(4-methylpiperazin-1-...
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ClozapineN-Oxide
- 10mM in DMSO
Cas Number: 34233-69-7(DMSO)

Formula: C₁₈H₁₉ClN₄O Molecular Weight: 342.82

IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]

InChIKey: OGUCZBIQSYYWEF-UHFFFAOYSA-N

InChI: InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Synonyms: Clozapine N-oxide|34233-69-7|Clozapine-N-oxide|Clozapine (N-oxide)|CHEMBL1688|MZA8BK588J|3-chloro-6-(4-methyl-4-oxido...
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JHU 37160
- 10mM in DMSO
Cas Number: 2369979-68-8

Formula: C₁₉H₂₀ClFN₄ Molecular Weight: 358.85

IUPAC Name: 3-chloro-6-(4-ethylpiperazin-1-yl)-10-fluoro-11H-benzo[b][1,4]benzodiazepine

SMILES: CCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=C2C=CC=C4F

InChIKey: SWSCWOSASZXIRK-UHFFFAOYSA-N

InChI: InChI=1S/C19H20ClFN4/c1-2-24-8-10-25(11-9-24)19-14-4-3-5-15(21)18(14)22-16-7-6-13(20)12-17(16)23-19/h3-7,12,22H,2,8-11H2,1H3

Synonyms: 8-Chloro-11-(4-ethylpiperazin-1-yl)-4-fluoro-5H-dibenzo[b,e][1,4]diazepine
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JHU 37152
- 10mM in DMSO
Cas Number: 2369979-67-7

Formula: C₁₉H₂₀ClFN₄ Molecular Weight: 358.85

IUPAC Name: 3-chloro-6-(4-ethylpiperazin-1-yl)-7-fluoro-11H-benzo[b][1,4]benzodiazepine

SMILES: CCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=C2C(=CC=C4)F

InChIKey: NZMZJNNWMSYDNX-UHFFFAOYSA-N

InChI: InChI=1S/C19H20ClFN4/c1-2-24-8-10-25(11-9-24)19-18-14(21)4-3-5-16(18)22-15-7-6-13(20)12-17(15)23-19/h3-7,12,22H,2,8-11H2,1H3

Synonyms: 8-Chloro-11-(4-ethylpiperazin-1-yl)-1-fluoro-5H-dibenzo[b,e][1,4]diazepine
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Dibenzepine HCl
- 10mM in DMSO
Cas Number: 315-80-0

Formula: C16H17N3O•HCl Molecular Weight: 303.793646

IUPAC Name: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride

SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl

InChIKey: RJPZIQRLRMWPRF-UHFFFAOYSA-N

InChI: InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H

Synonyms: Dibenzepin hydrochloride|315-80-0|Dibenzepine HCl|Dibenzepine hydrochloride|Dibenzepin HCl|Noveril|Ansiopax|Neodalit|...
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Dibenzepine HCl
- ≥99%
Cas Number: 315-80-0

Formula: C16H17N3O•HCl Molecular Weight: 303.793646

IUPAC Name: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride

SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl

InChIKey: RJPZIQRLRMWPRF-UHFFFAOYSA-N

InChI: InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H

Synonyms: (E)-2-HEXENAL DIETHYL ACETAL [FHFI] | 10-(2-(dimethylamino)ethyl)-5-methyl-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one h...
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DREADD Agonist 21
- 10mM in DMSO
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-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 11-Piperazinyldibenzo[b,e][1,4]diazepine dihydrochloride | Compou...
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ClozapineN-Oxide
- ≥97%
Cas Number: 34233-69-7

Formula: C₁₈H₁₉ClN₄O Molecular Weight: 342.82

IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]

InChIKey: OGUCZBIQSYYWEF-UHFFFAOYSA-N

InChI: InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Synonyms: N-Oxyclozapine | s4107 | UNII-MZA8BK588J | 1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofura...
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Clozapine
- ≥98%
Cas Number: 5786-21-0

Formula: C₁₈H₁₉ClN₄ Molecular Weight: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Synonyms: Clozapine (JAN/USP/INN) | HSDB 6478 | Prestwick1_000350 | Clozapine (Clozaril) | Clozapina [INN-Spanish] | KBio2_0054...
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Dibenzepin
Cas Number: 4498-32-2

Formula: C₁₈H₂₁N₃O Molecular Weight: 295.38

IUPAC Name: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one

SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C

InChIKey: QPGGEKPRGVJKQB-UHFFFAOYSA-N

InChI: InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3

Synonyms: 10-[2-(Dimethylamino)ethyl]-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one; Dibenzepin;HF 1927 | AB012755...

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