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Benzodiazepines

Aromatic organic heterocyclic compounds that consist of benzene fused with a diazepine ring; diazepine rings are seven-membered heterocyclic compounds with two nitrogen atoms.

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1

1-(8-Chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethanone, TRC

CAS: 1025951-76-1 Molecular Formula: C20H21ClN4O Molecular Weight (g/mol): 368.86 Synonym: 5-Acetyl-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo-(b,e)(1,4)-diazepine,Clozapine Impurity,1-[8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]ethanone IUPAC Name: 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]ethanone SMILES: CN1CCN(CC1)C2=Nc3cc(Cl)ccc3N(C(=O)C)c4ccccc24

CAS 1025951-76-1
Molecular Weight (g/mol) 368.86
SMILES CN1CCN(CC1)C2=Nc3cc(Cl)ccc3N(C(=O)C)c4ccccc24
Synonym 5-Acetyl-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo-(b,e)(1,4)-diazepine,Clozapine Impurity,1-[8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]ethanone
IUPAC Name 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]ethanone
Molecular Formula C20H21ClN4O
2

2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine, 95%

CAS: 5946-39-4 Molecular Formula: C9H12N2 Molecular Weight (g/mol): 148.209 MDL Number: MFCD03789577 InChI Key: MLXBHOCKBUILHN-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrahydro-1h-benzo e 1,4 diazepine,1h-1,4-benzodiazepine, 2,3,4,5-tetrahydro,2,3,4,5-tetrahydro-1h benzo e 1,4 diazepine,pubchem14772,acmc-1anok,d0v0nj,tetrahydrobenzo 1,4 diazepine,2,3,4,5-tetrahydro-1h-1,4-benzodiazepine,2,3,4,5-tetrahydro-1h-benzo 1,4 diazepine PubChem CID: 2771762 IUPAC Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine SMILES: C1CNC2=CC=CC=C2CN1

PubChem CID 2771762
CAS 5946-39-4
Molecular Weight (g/mol) 148.209
MDL Number MFCD03789577
SMILES C1CNC2=CC=CC=C2CN1
Synonym 2,3,4,5-tetrahydro-1h-benzo e 1,4 diazepine,1h-1,4-benzodiazepine, 2,3,4,5-tetrahydro,2,3,4,5-tetrahydro-1h benzo e 1,4 diazepine,pubchem14772,acmc-1anok,d0v0nj,tetrahydrobenzo 1,4 diazepine,2,3,4,5-tetrahydro-1h-1,4-benzodiazepine,2,3,4,5-tetrahydro-1h-benzo 1,4 diazepine
IUPAC Name 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
InChI Key MLXBHOCKBUILHN-UHFFFAOYSA-N
Molecular Formula C9H12N2
3

N-Desmethyl Clozapine, TRC

CAS: 6104-71-8 Molecular Formula: C17 H17 Cl N4 Molecular Weight (g/mol): 312.8 Synonym: 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(1-piperazinyl)-,8-Chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine,Clozapine Imp. C (EP),Desmethylclozapine,Norclozapine,8-Chloro-11-(1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,ACP 104,Demethylclozapine,N-Demethylclozapine,N-Desmethylclozapine,Clozapine-desmethyl IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine SMILES: Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4

CAS 6104-71-8
Molecular Weight (g/mol) 312.8
SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4
Synonym 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(1-piperazinyl)-,8-Chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine,Clozapine Imp. C (EP),Desmethylclozapine,Norclozapine,8-Chloro-11-(1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,ACP 104,Demethylclozapine,N-Demethylclozapine,N-Desmethylclozapine,Clozapine-desmethyl
IUPAC Name 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
Molecular Formula C17 H17 Cl N4
4

Clozapine N-Oxide, TRC

CAS: 34233-69-7 Molecular Formula: C18 H19 Cl N4 O Molecular Weight (g/mol): 342.82 Synonym: 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-4-oxido-1-piperazinyl)-,5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, N-oxide (8CI),8-Chloro-11-(4-methyl-4-oxido-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Clozapine N-oxide IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine SMILES: C[N+]1([O-])CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24

CAS 34233-69-7
Molecular Weight (g/mol) 342.82
SMILES C[N+]1([O-])CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
Synonym 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-4-oxido-1-piperazinyl)-,5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, N-oxide (8CI),8-Chloro-11-(4-methyl-4-oxido-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Clozapine N-oxide
IUPAC Name 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula C18 H19 Cl N4 O
5

Clozapine, TRC

CAS: 5786-21-0 Molecular Formula: C18 H19 Cl N4 Molecular Weight (g/mol): 326.82 Synonym: 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24

CAS 5786-21-0
Molecular Weight (g/mol) 326.82
SMILES CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
Synonym 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin
IUPAC Name 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula C18 H19 Cl N4
6

PBD-5,11-dione, TRC

CAS: 18877-34-4 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 Synonym: (11aS)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione,(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione,1,2,3,11a-Tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione IUPAC Name: (6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione SMILES: O=C1Nc2ccccc2C(=O)N3CCC[C@@H]13

CAS 18877-34-4
Molecular Weight (g/mol) 216.24
SMILES O=C1Nc2ccccc2C(=O)N3CCC[C@@H]13
Synonym (11aS)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione,(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione,1,2,3,11a-Tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione
IUPAC Name (6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Molecular Formula C12H12N2O2