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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

Clozapine

CAS: 5786-21-0 Molecular Formula: C18H19ClN4 Molecular Weight (g/mol): 326.83 InChI Key: ZUXABONWMNSFBN-UHFFFAOYSA-N IUPAC Name: 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1,3,5,7,10,12,14-heptaene SMILES: CN1CCN(CC1)C1=C2C=CC=CC2=NC2=CC=C(Cl)C=C2N1

CAS 5786-21-0
Molecular Weight (g/mol) 326.83
SMILES CN1CCN(CC1)C1=C2C=CC=CC2=NC2=CC=C(Cl)C=C2N1
IUPAC Name 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1,3,5,7,10,12,14-heptaene
InChI Key ZUXABONWMNSFBN-UHFFFAOYSA-N
Molecular Formula C18H19ClN4
2

11-(Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, TRC

CAS: 28797-48-0 Molecular Formula: C14H10ClN3O2 Molecular Weight (g/mol): 287.7 IUPAC Name: 11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one SMILES: ClCC(=O)N1c2ccccc2C(=O)Nc3cccnc13

CAS 28797-48-0
Molecular Weight (g/mol) 287.7
SMILES ClCC(=O)N1c2ccccc2C(=O)Nc3cccnc13
IUPAC Name 11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular Formula C14H10ClN3O2
3

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
4

7-Chloro-1,3-dihydro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,4-benzodiazepine 4-Oxide, TRC

CAS: 60656-76-0 Molecular Formula: C16H11ClFN3O3 Molecular Weight (g/mol): 347.73 Synonym: 7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-2-(nitromethylene)-1H-1,4-benzodiazepine 4-Oxide,Midazolam Intermediate II IUPAC Name: 7-chloro-1-(3-fluorophenyl)-3-methylidene-2-nitro-4-oxido-2H-1,4-benzodiazepin-4-ium SMILES: C=C1C(N(C2=C(C=C(C=C2)Cl)C=[N+]1[O-])C3=CC(=CC=C3)F)[N+](=O)[O-]

CAS 60656-76-0
Molecular Weight (g/mol) 347.73
SMILES C=C1C(N(C2=C(C=C(C=C2)Cl)C=[N+]1[O-])C3=CC(=CC=C3)F)[N+](=O)[O-]
Synonym 7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-2-(nitromethylene)-1H-1,4-benzodiazepine 4-Oxide,Midazolam Intermediate II
IUPAC Name 7-chloro-1-(3-fluorophenyl)-3-methylidene-2-nitro-4-oxido-2H-1,4-benzodiazepin-4-ium
Molecular Formula C16H11ClFN3O3