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Benzazepines

Organic heterocyclic compounds consisting of a benzene ring fused to an azepine ring; azepine rings are seven-membered rings with six carbon atoms and one nitrogen atom.

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1

N-Nitrosodesipramine, TRC

CAS: 57164-17-7 Molekylær formel: C18H21N3O Molekylvægt (g/mol): 295.38 Synonym: 10,11-Dihydro-N-methyl-N-nitroso-5H-dibenz[b,f]azepine-5-propanamine IUPAC navn: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylnitrous amide SMIL: CN(CCCN1c2ccccc2CCc3ccccc13)N=O

Molekylvægt (g/mol) 295.38
CAS 57164-17-7
Synonym 10,11-Dihydro-N-methyl-N-nitroso-5H-dibenz[b,f]azepine-5-propanamine
SMIL CN(CCCN1c2ccccc2CCc3ccccc13)N=O
IUPAC navn N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylnitrous amide
Molekylær formel C18H21N3O
2

N-Formyl Oxcarbazepine, TRC

CAS: 1346601-76-0 Molekylær formel: C16H12N2O3 Molekylvægt (g/mol): 280.28 Synonym: N-Formyl-10,11-dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide SMIL: O=C(NC=O)N(C1=C(C2)C=CC=C1)C3=C(C2=O)C=CC=C3

Molekylvægt (g/mol) 280.28
CAS 1346601-76-0
Synonym N-Formyl-10,11-dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide
SMIL O=C(NC=O)N(C1=C(C2)C=CC=C1)C3=C(C2=O)C=CC=C3
Molekylær formel C16H12N2O3
3

N-Formyl Varenicline, TRC

CAS: 796865-82-2 Molekylær formel: C14 H13 N3 O Molekylvægt (g/mol): 239.27 Synonym: 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde, 6,7,9,10-tetrahydro-,6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,N-Formylvarenicline SMIL: O=CN1CC2CC(C1)c3cc4nccnc4cc23

Molekylvægt (g/mol) 239.27
CAS 796865-82-2
Synonym 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde, 6,7,9,10-tetrahydro-,6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,N-Formylvarenicline
SMIL O=CN1CC2CC(C1)c3cc4nccnc4cc23
Molekylær formel C14 H13 N3 O
4

N-trifluoroacetyl Varenicline, TRC

CAS: 230615-70-0 Molekylær formel: C15 H12 F3 N3 O Molekylvægt (g/mol): 307.2705 Synonym: Ethanone, 2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)-,6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI),2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone IUPAC navn: 2,2,2-trifluoro-1-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)ethanone SMIL: FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23

Molekylvægt (g/mol) 307.2705
CAS 230615-70-0
Synonym Ethanone, 2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)-,6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI),2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone
SMIL FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23
IUPAC navn 2,2,2-trifluoro-1-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)ethanone
Molekylær formel C15 H12 F3 N3 O
5

N-Nitroso Iminostilbene, TRC

CAS: 38652-29-8 Molekylær formel: C14H10N2O Molekylvægt (g/mol): 222.24 Synonym: 5-Nitroso-5H-dibenz[b,f]azepine; IUPAC navn: 11-nitrosobenzo[b][1]benzazepine SMIL: O=NN1c2ccccc2C=Cc3ccccc13

Molekylvægt (g/mol) 222.24
CAS 38652-29-8
Synonym 5-Nitroso-5H-dibenz[b,f]azepine;
SMIL O=NN1c2ccccc2C=Cc3ccccc13
IUPAC navn 11-nitrosobenzo[b][1]benzazepine
Molekylær formel C14H10N2O
6

Imipramine N-Oxide Hydrate, TRC

CAS: 1215681-42-7 Molekylær formel: C19H24N2O • x(H2O) Molekylvægt (g/mol): 296.411802 Synonym: 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine N-Oxide Hydrate,5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine 5-oxide Hydrate,Imipraminoxide Hydrate IUPAC navn: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide;hydrate SMIL: CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O

Molekylvægt (g/mol) 296.411802
CAS 1215681-42-7
Synonym 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine N-Oxide Hydrate,5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine 5-oxide Hydrate,Imipraminoxide Hydrate
SMIL CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O
IUPAC navn 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide;hydrate
Molekylær formel C19H24N2O • x(H2O)
7

N-Desmethyl Clomipramine Hydrochloride, TRC

CAS: 29854-14-6 Molekylær formel: C18 H21 Cl N2 . Cl H Molekylvægt (g/mol): 337.29 Synonym: Desmethylclomipramine Hydrochloride IUPAC navn: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride SMIL: Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13

Molekylvægt (g/mol) 337.29
CAS 29854-14-6
Synonym Desmethylclomipramine Hydrochloride
SMIL Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13
IUPAC navn 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
Molekylær formel C18 H21 Cl N2 . Cl H
8

N-Demethyl Ivabradine Hydrochloride, TRC

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Kemisk navn eller materiale N-Demethyl Ivabradine Hydrochloride
Anbefalet opbevaring +4°C
Molekylvægt (g/mol) 491.02
InChI formel InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1
CAS 1246638-08-3
Formel vægt 490.2234
Synonym 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]amino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrobromide (1:1)
SMIL Cl.COc1cc2CCN(CCCNC[C@H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC
IUPAC navn 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
Molekylær formel C26 H34 N2 O5 . Cl H
9

Imipramine N-b-D-Glucuronide (>85%), TRC

CAS: 165602-94-8 Molekylær formel: C25H32N2O6 Molekylvægt (g/mol): 456.53 Synonym: N-β-D-Glucopyranuronosyl-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanaminium Inner Salt,Imipramine N-Glucuronide; SMIL: C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O

Molekylvægt (g/mol) 456.53
CAS 165602-94-8
Synonym N-β-D-Glucopyranuronosyl-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanaminium Inner Salt,Imipramine N-Glucuronide;
SMIL C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O
Molekylær formel C25H32N2O6
10

1,2,3,4-Tetrahydrobenzazepine-5-one, 97%, Thermo Scientific™

CAS: 1127-74-8 MDL nummer: MFCD03426404 InChI nøgle: NKRKBYFBKLDCFB-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-benzo b azepin-5-one,1,2,3,4-tetrahydrobenzo b azepin-5-one,1,2,3,4-tetrahydrobenzoazepine-5-one,3,4-dihydro-1h-benzo b azepin-5 2h-one,1,2,3,4-tetrahydro-5h-1-benzazepin-5-one,2,3,4,5-tetrahydro-1h-1-benzazepin-5-one,5h-1-benzazepin-5-one, 1,2,3,4-tetrahydro,5-oxo-2,3,4,5-tetrahydro-1h-benzazepine,1,2,3,4-tetrahydrobenzazepine-5-one,zlchem 1002 PubChem CID: 294788 IUPAC navn: 1,2,3,4-tetrahydro-1-benzazepin-5-one SMIL: C1CC(=O)C2=CC=CC=C2NC1

MDL nummer MFCD03426404
PubChem CID 294788
CAS 1127-74-8
Synonym 1,2,3,4-tetrahydro-benzo b azepin-5-one,1,2,3,4-tetrahydrobenzo b azepin-5-one,1,2,3,4-tetrahydrobenzoazepine-5-one,3,4-dihydro-1h-benzo b azepin-5 2h-one,1,2,3,4-tetrahydro-5h-1-benzazepin-5-one,2,3,4,5-tetrahydro-1h-1-benzazepin-5-one,5h-1-benzazepin-5-one, 1,2,3,4-tetrahydro,5-oxo-2,3,4,5-tetrahydro-1h-benzazepine,1,2,3,4-tetrahydrobenzazepine-5-one,zlchem 1002
SMIL C1CC(=O)C2=CC=CC=C2NC1
IUPAC navn 1,2,3,4-tetrahydro-1-benzazepin-5-one
InChI nøgle NKRKBYFBKLDCFB-UHFFFAOYSA-N
11

SKF 83959 hydrobromide, Tocris Bioscience™

CAS: 67287-95-0 Molekylær formel: C18H21BrClNO2 Molekylvægt (g/mol): 398.725 InChI nøgle: FHYWNBUFNGHNCP-UHFFFAOYSA-N Synonym: skf 83959 hydrobromide,skf-83959 hydrobromide,6-chloro-7,8-dihydroxy-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrobromide,6-chloro-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol hydrobromide,6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-1h-3-benzazepine-7,8-diol hydrobromide,1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-, hydrobromide,1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-, hydrobromide 1:1,skf-83959 hydrobromide hplc , solid,6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-1h-3-benzazepine-7,8-diol,6-chloro-7,8-dihydroxy-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepinium bromide PubChem CID: 11957685 ChEBI: CHEBI:63996 IUPAC navn: 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide SMIL: CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br

PubChem CID 11957685
Molekylvægt (g/mol) 398.725
CAS 67287-95-0
ChEBI CHEBI:63996
Synonym skf 83959 hydrobromide,skf-83959 hydrobromide,6-chloro-7,8-dihydroxy-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrobromide,6-chloro-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol hydrobromide,6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-1h-3-benzazepine-7,8-diol hydrobromide,1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-, hydrobromide,1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-, hydrobromide 1:1,skf-83959 hydrobromide hplc , solid,6-chloro-2,3,4,5-tetrahydro-3-methyl-1-3-methylphenyl-1h-3-benzazepine-7,8-diol,6-chloro-7,8-dihydroxy-3-methyl-1-3-methylphenyl-2,3,4,5-tetrahydro-1h-3-benzazepinium bromide
SMIL CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br
IUPAC navn 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
InChI nøgle FHYWNBUFNGHNCP-UHFFFAOYSA-N
Molekylær formel C18H21BrClNO2