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Benzodiazépines

Benzodiazépines

Composés hétérocycliques organiques aromatiques constitués de benzène fusionné avec un cycle diazépine ; les cycles de diazépine sont des composés hétérocycliques à sept chaînons avec deux atomes d’azote.
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1 – 11 de 11 résultats
1

2,3,4,5-Tétrahydro-1H-1,4-benzodiazépine, 95 %, Thermo Scientific Chemicals

CAS: 5946-39-4 Formule moléculaire: C9H12N2 Poids moléculaire (g/mol): 148.209 Numéro MDL: MFCD03789577 Clé InChI: MLXBHOCKBUILHN-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 2771762 Nom IUPAC: 2,3,4,5-tétrahydro-1H-1,4-benzodiazépine SMILES: C1CNC2=CC=CC=C2CN1

Poids moléculaire (g/mol) 148.209
Synonyme 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
Numéro MDL MFCD03789577
CAS 5946-39-4
CID PubChem 2771762
Nom IUPAC 2,3,4,5-tétrahydro-1H-1,4-benzodiazépine
Clé InChI MLXBHOCKBUILHN-UHFFFAOYSA-N
SMILES C1CNC2=CC=CC=C2CN1
Formule moléculaire C9H12N2
2

Clozapine, Thermo Scientific Chemicals

CAS: 5786-21-0 Formule moléculaire: C18H19ClN4 Poids moléculaire (g/mol): 326.83 Clé InChI: ZUXABONWMNSFBN-UHFFFAOYSA-N Nom IUPAC: 6-chloro-10-(4-méthylpipérazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadéca-1,3,5,7,10,12,14-heptaène SMILES: CN1CCN(CC1)C1=C2C=CC=CC2=NC2=CC=C(Cl)C=C2N1

Poids moléculaire (g/mol) 326.83
CAS 5786-21-0
Nom IUPAC 6-chloro-10-(4-méthylpipérazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadéca-1,3,5,7,10,12,14-heptaène
Clé InChI ZUXABONWMNSFBN-UHFFFAOYSA-N
SMILES CN1CCN(CC1)C1=C2C=CC=CC2=NC2=CC=C(Cl)C=C2N1
Formule moléculaire C18H19ClN4
3

AF-DX 116, Tocris Bioscience™

CAS: 102394-31-0 Formule moléculaire: C24H31N5O2 Poids moléculaire (g/mol): 421.545 Clé InChI: UBRKDAVQCKZSPO-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 107867 Nom IUPAC: 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

Poids moléculaire (g/mol) 421.545
Synonyme 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
CAS 102394-31-0
CID PubChem 107867
Nom IUPAC 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Clé InChI UBRKDAVQCKZSPO-UHFFFAOYSA-N
SMILES CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Formule moléculaire C24H31N5O2
4

LE 135, Tocris Bioscience™

CAS: 155877-83-1 Formule moléculaire: C29H30N2O2 Clé InChI: YZZAIQOVMHVWBS-UHFFFAOYSA-N CID PubChem: 10410894

CAS 155877-83-1
CID PubChem 10410894
Clé InChI YZZAIQOVMHVWBS-UHFFFAOYSA-N
Formule moléculaire C29H30N2O2
5

Clozapine, Tocris Bioscience™

CAS: 5786-21-0 Formule moléculaire: C18H19ClN4 Poids moléculaire (g/mol): 326.828 Clé InChI: ZUXABONWMNSFBN-UHFFFAOYSA-N Synonyme: clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina CID PubChem: 2818 Nom IUPAC: 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

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

HX 531, Tocris Bioscience™

CAS: 188844-34-0 Formule moléculaire: C29H29N3O4 Poids moléculaire (g/mol): 483.568 Clé InChI: SXKPGYKPQPYJER-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 11755040 Nom IUPAC: 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

Poids moléculaire (g/mol) 483.568
Synonyme 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
CAS 188844-34-0
CID PubChem 11755040
Nom IUPAC 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
Clé InChI SXKPGYKPQPYJER-UHFFFAOYSA-N
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
Formule moléculaire C29H29N3O4
7

Clozapine N-oxide, Tocris Bioscience™

CAS: 34233-69-7 Formule moléculaire: C18H19ClN4O Poids moléculaire (g/mol): 342.827 Clé InChI: WYRDWWAASBTJLM-UHFFFAOYSA-N Synonyme: clozapine n-oxide,clozapine-n-oxide,unii-mza8bk588j,chembl1688,mza8bk588j,n-oxyclozapine,clozapine n-oxide cno,oguczbiqsyywef-uhfffaoysa-n CID PubChem: 2819 Nom IUPAC: 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-]

Poids moléculaire (g/mol) 342.827
Synonyme clozapine n-oxide,clozapine-n-oxide,unii-mza8bk588j,chembl1688,mza8bk588j,n-oxyclozapine,clozapine n-oxide cno,oguczbiqsyywef-uhfffaoysa-n
CAS 34233-69-7
CID PubChem 2819
Nom IUPAC 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine
Clé InChI WYRDWWAASBTJLM-UHFFFAOYSA-N
SMILES C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]
Formule moléculaire C18H19ClN4O
8

AF-DX 384, Tocris Bioscience™

CAS: 118290-26-9 Formule moléculaire: C27H38N6O2 Poids moléculaire (g/mol): 478.641 Clé InChI: MZDYABXXPZNUCT-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 119357 Nom IUPAC: 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

Poids moléculaire (g/mol) 478.641
Synonyme 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
CAS 118290-26-9
CID PubChem 119357
Nom IUPAC N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Clé InChI MZDYABXXPZNUCT-UHFFFAOYSA-N
SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Formule moléculaire C27H38N6O2
9

AQ-RA 741, Tocris Bioscience™

CAS: 123548-16-3 Formule moléculaire: C27H37N5O2 Poids moléculaire (g/mol): 463.626 Clé InChI: BCUGCHZRMKTPMU-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 129989 Nom IUPAC: 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

Poids moléculaire (g/mol) 463.626
Synonyme 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
CAS 123548-16-3
CID PubChem 129989
Nom IUPAC 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Clé InChI BCUGCHZRMKTPMU-UHFFFAOYSA-N
SMILES CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Formule moléculaire C27H37N5O2
10

L-365,260, Tocris Bioscience™

CAS: 118101-09-0 Formule moléculaire: C24H22N4O2 Poids moléculaire (g/mol): 398.466 Clé InChI: KDFQABSFVYLGPM-QFIPXVFZSA-N Synonyme: 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 CID PubChem: 5311201 ChEBI: CHEBI:79548 Nom IUPAC: 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

Poids moléculaire (g/mol) 398.466
Synonyme 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
CAS 118101-09-0
CID PubChem 5311201
ChEBI CHEBI:79548
Nom IUPAC 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Clé InChI KDFQABSFVYLGPM-QFIPXVFZSA-N
SMILES CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
Formule moléculaire C24H22N4O2