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Benzodiazepines

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 – 11 of 11 results
1

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

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
2

Clozapine, Thermo Scientific Chemicals

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
3

HX 531, Tocris Bioscience™

CAS: 188844-34-0 Molecular Formula: C29H29N3O4 Molecular Weight (g/mol): 483.568 InChI Key: SXKPGYKPQPYJER-UHFFFAOYSA-N Synonym: d02yhd,z-4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-benzo b naphtho 2,3-e 1,4 diazepin-12-yl benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-5,13-diaza-benzo 4,5 cyclohepta 1,2-b naphthalen-12-yl-benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho 2,3-b 1,5 benzodiazepin-12-yl benzoic acid,4-7,8,9,10-tetrahydro-5,7,7,10.10-pentamethyl-2-nitro-5h-benzo b naphtho 2,3-e 1,4-diazepin-12-yl-benzoic acid PubChem CID: 11755040 IUPAC Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid SMILES: CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C

PubChem CID 11755040
CAS 188844-34-0
Molecular Weight (g/mol) 483.568
SMILES CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C
Synonym d02yhd,z-4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-benzo b naphtho 2,3-e 1,4 diazepin-12-yl benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-5,13-diaza-benzo 4,5 cyclohepta 1,2-b naphthalen-12-yl-benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho 2,3-b 1,5 benzodiazepin-12-yl benzoic acid,4-7,8,9,10-tetrahydro-5,7,7,10.10-pentamethyl-2-nitro-5h-benzo b naphtho 2,3-e 1,4-diazepin-12-yl-benzoic acid
IUPAC Name 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
InChI Key SXKPGYKPQPYJER-UHFFFAOYSA-N
Molecular Formula C29H29N3O4
4

AF-DX 384, Tocris Bioscience™

CAS: 118290-26-9 Molecular Formula: C27H38N6O2 Molecular Weight (g/mol): 478.641 InChI Key: MZDYABXXPZNUCT-UHFFFAOYSA-N Synonym: af-dx 384,afdx384,af-dx-384,3h af dx-384,3h af-dx 384,n-2-2-dipropylamino methyl piperidin-1-yl ethyl-6-oxo-5h-benzo e pyrido 3,2-b 1,4 diazepine-11 6h-carboxamide,n-2-2-dipropylamino methyl-1-piperidinyl ethyl-5,6-dihydro-6-oxo-11h-pyrido 2,3-b 1,4 benzodiazepine-11-carboxamide,afdx-384,n-2-2-dipropylamino methyl piperidin-1-yl ethyl-6-oxo-5h-pyrido 2,3-b 1,4 benzodiazepine-11-carboxamide,d06pvq PubChem CID: 119357 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

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PubChem CID 119357
CAS 118290-26-9
Molecular Weight (g/mol) 478.641
SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Synonym af-dx 384,afdx384,af-dx-384,3h af dx-384,3h af-dx 384,n-2-2-dipropylamino methyl piperidin-1-yl ethyl-6-oxo-5h-benzo e pyrido 3,2-b 1,4 diazepine-11 6h-carboxamide,n-2-2-dipropylamino methyl-1-piperidinyl ethyl-5,6-dihydro-6-oxo-11h-pyrido 2,3-b 1,4 benzodiazepine-11-carboxamide,afdx-384,n-2-2-dipropylamino methyl piperidin-1-yl ethyl-6-oxo-5h-pyrido 2,3-b 1,4 benzodiazepine-11-carboxamide,d06pvq
IUPAC Name N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
InChI Key MZDYABXXPZNUCT-UHFFFAOYSA-N
Molecular Formula C27H38N6O2
5

Clozapine N-oxide, Tocris Bioscience™

CAS: 34233-69-7 Molecular Formula: C18H19ClN4O Molecular Weight (g/mol): 342.827 InChI Key: WYRDWWAASBTJLM-UHFFFAOYSA-N Synonym: clozapine n-oxide,clozapine-n-oxide,unii-mza8bk588j,chembl1688,mza8bk588j,n-oxyclozapine,clozapine n-oxide cno,oguczbiqsyywef-uhfffaoysa-n PubChem CID: 2819 IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine SMILES: C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]

PubChem CID 2819
CAS 34233-69-7
Molecular Weight (g/mol) 342.827
SMILES C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]
Synonym clozapine n-oxide,clozapine-n-oxide,unii-mza8bk588j,chembl1688,mza8bk588j,n-oxyclozapine,clozapine n-oxide cno,oguczbiqsyywef-uhfffaoysa-n
IUPAC Name 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine
InChI Key WYRDWWAASBTJLM-UHFFFAOYSA-N
Molecular Formula C18H19ClN4O
6

LE 135, Tocris Bioscience™

CAS: 155877-83-1 Molecular Formula: C29H30N2O2 InChI Key: YZZAIQOVMHVWBS-UHFFFAOYSA-N PubChem CID: 10410894

PubChem CID 10410894
CAS 155877-83-1
InChI Key YZZAIQOVMHVWBS-UHFFFAOYSA-N
Molecular Formula C29H30N2O2
7

AF-DX 116, Tocris Bioscience™

CAS: 102394-31-0 Molecular Formula: C24H31N5O2 Molecular Weight (g/mol): 421.545 InChI Key: UBRKDAVQCKZSPO-UHFFFAOYSA-N Synonym: otenzepad,af-dx 116,af-dx-116,unii-sx2wtg9r3z,unii-ww6a9tfl2c,sx2wtg9r3z,ww6a9tfl2c,chembl17045,11-2-diethylamino methyl-1-piperidinyl acetyl-5,11-dihydro-6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,11-2-2-diethylamino methyl piperidin-1-yl acetyl-5h-benzo e pyrido 3,2-b 1,4 diazepin-6 11h-one PubChem CID: 107867 IUPAC Name: 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one SMILES: CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

PubChem CID 107867
CAS 102394-31-0
Molecular Weight (g/mol) 421.545
SMILES CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Synonym otenzepad,af-dx 116,af-dx-116,unii-sx2wtg9r3z,unii-ww6a9tfl2c,sx2wtg9r3z,ww6a9tfl2c,chembl17045,11-2-diethylamino methyl-1-piperidinyl acetyl-5,11-dihydro-6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,11-2-2-diethylamino methyl piperidin-1-yl acetyl-5h-benzo e pyrido 3,2-b 1,4 diazepin-6 11h-one
IUPAC Name 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
InChI Key UBRKDAVQCKZSPO-UHFFFAOYSA-N
Molecular Formula C24H31N5O2
8

L-365,260, Tocris Bioscience™

CAS: 118101-09-0 Molecular Formula: C24H22N4O2 Molecular Weight (g/mol): 398.466 InChI Key: KDFQABSFVYLGPM-QFIPXVFZSA-N Synonym: n-3r-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl urea,1-3r-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl-3-3-methylphenyl urea,r-n-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl-urea,urea, n-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl-, r PubChem CID: 5311201 ChEBI: CHEBI:79548 IUPAC Name: 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea SMILES: CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

PubChem CID 5311201
CAS 118101-09-0
Molecular Weight (g/mol) 398.466
ChEBI CHEBI:79548
SMILES CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
Synonym n-3r-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl urea,1-3r-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl-3-3-methylphenyl urea,r-n-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl-urea,urea, n-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl-n'-3-methylphenyl-, r
IUPAC Name 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
InChI Key KDFQABSFVYLGPM-QFIPXVFZSA-N
Molecular Formula C24H22N4O2
9

Clozapine, Tocris Bioscience™

CAS: 5786-21-0 Molecular Formula: C18H19ClN4 Molecular Weight (g/mol): 326.828 InChI Key: ZUXABONWMNSFBN-UHFFFAOYSA-N Synonym: clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina PubChem CID: 2818 IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

PubChem CID 2818
CAS 5786-21-0
Molecular Weight (g/mol) 326.828
SMILES CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl
Synonym clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina
IUPAC Name 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine
InChI Key ZUXABONWMNSFBN-UHFFFAOYSA-N
Molecular Formula C18H19ClN4
10

AQ-RA 741, Tocris Bioscience™

CAS: 123548-16-3 Molecular Formula: C27H37N5O2 Molecular Weight (g/mol): 463.626 InChI Key: BCUGCHZRMKTPMU-UHFFFAOYSA-N Synonym: aq-ra 741,aq-ra-741,11-4-4-diethylamino butyl-1-piperidinyl acetyl-5,11-dihydro-6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,11-2-4-4-diethylamino butyl-1-piperidinyl acetyl-5,11-dihydro,acmc-20ej93,d0vz3d,aq-ra-741bs,chembl43383,11-2-4-4-diethylamino butyl piperidin-1-yl acetyl-5h-benzo e pyrido 3,2-b 1,4 diazepin-6 11h-one PubChem CID: 129989 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

PubChem CID 129989
CAS 123548-16-3
Molecular Weight (g/mol) 463.626
SMILES CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Synonym aq-ra 741,aq-ra-741,11-4-4-diethylamino butyl-1-piperidinyl acetyl-5,11-dihydro-6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,6h-pyrido 2,3-b 1,4 benzodiazepin-6-one,11-2-4-4-diethylamino butyl-1-piperidinyl acetyl-5,11-dihydro,acmc-20ej93,d0vz3d,aq-ra-741bs,chembl43383,11-2-4-4-diethylamino butyl piperidin-1-yl acetyl-5h-benzo e pyrido 3,2-b 1,4 diazepin-6 11h-one
IUPAC Name 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
InChI Key BCUGCHZRMKTPMU-UHFFFAOYSA-N
Molecular Formula C27H37N5O2