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Azepines

Organic heterocyclic compounds that consist of a seven-membered ring composed of six carbon atoms, one nitrogen atom, and seven hydrogen atoms.
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Thermo Scientific Chemicals Carbamazepine, 98%

CAS: 298-46-4 Molecular Formula: C15H12N2O Molecular Weight (g/mol): 236.27 MDL Number: MFCD00005073 InChI Key: FFGPTBGBLSHEPO-UHFFFAOYSA-N Synonym: carbamazepine,tegretol,5h-dibenzo b,f azepine-5-carboxamide,carbamazepen,carbazepine,finlepsin,carbamezepine,equetro,tegretal,biston PubChem CID: 2554 ChEBI: CHEBI:3387 SMILES: NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12

PubChem CID 2554
CAS 298-46-4
Molecular Weight (g/mol) 236.27
ChEBI CHEBI:3387
MDL Number MFCD00005073
SMILES NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12
Synonym carbamazepine,tegretol,5h-dibenzo b,f azepine-5-carboxamide,carbamazepen,carbazepine,finlepsin,carbamezepine,equetro,tegretal,biston
InChI Key FFGPTBGBLSHEPO-UHFFFAOYSA-N
Molecular Formula C15H12N2O
2

Azepan-2-one oxime, 97%, Thermo Scientific™

CAS: 19214-08-5 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00053062 InChI Key: PPOHPUOKXMNCCI-UHFFFAOYSA-N Synonym: azepan-2-one oxime,n-azepan-2-ylidene hydroxylamine,2z-azepan-2-one oxime,2h-azepin-7-amine,3,4,5,6-tetrahydro-n-hydroxy,n-2e-azepan-2-ylidene hydroxylamine,2-hydroxyimino azaperhydroepine,n-2z-azepan-2-ylidene hydroxylamine,caprolactam-oxime,hieh@hpdeewafjjadp,azepan-2-oneoxime PubChem CID: 1810625 IUPAC Name: N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine SMILES: O\N=C1/CCCCCN1

PubChem CID 1810625
CAS 19214-08-5
Molecular Weight (g/mol) 128.18
MDL Number MFCD00053062
SMILES O\N=C1/CCCCCN1
Synonym azepan-2-one oxime,n-azepan-2-ylidene hydroxylamine,2z-azepan-2-one oxime,2h-azepin-7-amine,3,4,5,6-tetrahydro-n-hydroxy,n-2e-azepan-2-ylidene hydroxylamine,2-hydroxyimino azaperhydroepine,n-2z-azepan-2-ylidene hydroxylamine,caprolactam-oxime,hieh@hpdeewafjjadp,azepan-2-oneoxime
IUPAC Name N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
InChI Key PPOHPUOKXMNCCI-UHFFFAOYSA-N
Molecular Formula C6H12N2O
3

Sigma Aldrich 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol ester

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
4

Sigma Aldrich 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
5

Epinastine Hydrochloride 98.0+%, TCI America™

CAS: 108929-04-0 Molecular Formula: C16H16ClN3 Molecular Weight (g/mol): 285.78 MDL Number: MFCD00933434 InChI Key: VKXSGUIOOQPGAF-UHFFFAOYNA-N Synonym: 3-Amino-9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine Hydrochloride PubChem CID: 157313 ChEBI: CHEBI:51037 IUPAC Name: hydrogen 2,4-diazatetracyclo[12.4.0.0²,⁶.0⁷,¹²]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine chloride SMILES: [H+].[Cl-].NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21

PubChem CID 157313
CAS 108929-04-0
Molecular Weight (g/mol) 285.78
ChEBI CHEBI:51037
MDL Number MFCD00933434
SMILES [H+].[Cl-].NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21
Synonym 3-Amino-9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine Hydrochloride
IUPAC Name hydrogen 2,4-diazatetracyclo[12.4.0.0²,⁶.0⁷,¹²]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine chloride
InChI Key VKXSGUIOOQPGAF-UHFFFAOYNA-N
Molecular Formula C16H16ClN3
6

Eslicarbazepine Acetate 98.0+%, TCI America™

CAS: 236395-14-5 Molecular Formula: C17H16N2O3 Molecular Weight (g/mol): 296.326 MDL Number: MFCD06798333 InChI Key: QIALRBLEEWJACW-INIZCTEOSA-N Synonym: BIA 2-093, (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide PubChem CID: 179344 ChEBI: CHEBI:87016 IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate SMILES: CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N

PubChem CID 179344
CAS 236395-14-5
Molecular Weight (g/mol) 296.326
ChEBI CHEBI:87016
MDL Number MFCD06798333
SMILES CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
Synonym BIA 2-093, (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide
IUPAC Name [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate
InChI Key QIALRBLEEWJACW-INIZCTEOSA-N
Molecular Formula C17H16N2O3
7

DL-alpha-Amino-epsilon-caprolactam 98.0+%, TCI America™

CAS: 671-42-1 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.175 MDL Number: MFCD00064475 InChI Key: BOWUOGIPSRVRSJ-UHFFFAOYSA-N Synonym: DL-3-Aminohexahydro-2-azepinone, DL-3-Amino-2-oxohexamethyleneimine PubChem CID: 102463 ChEBI: CHEBI:19471 IUPAC Name: 3-aminoazepan-2-one SMILES: C1CCNC(=O)C(C1)N

PubChem CID 102463
CAS 671-42-1
Molecular Weight (g/mol) 128.175
ChEBI CHEBI:19471
MDL Number MFCD00064475
SMILES C1CCNC(=O)C(C1)N
Synonym DL-3-Aminohexahydro-2-azepinone, DL-3-Amino-2-oxohexamethyleneimine
IUPAC Name 3-aminoazepan-2-one
InChI Key BOWUOGIPSRVRSJ-UHFFFAOYSA-N
Molecular Formula C6H12N2O
8

1,5-Pentamethylenetetrazole 98.0+%, TCI America™

CAS: 54-95-5 Molecular Formula: C6H10N4 Molecular Weight (g/mol): 138.174 MDL Number: MFCD00005939 InChI Key: CWRVKFFCRWGWCS-UHFFFAOYSA-N Synonym: pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole PubChem CID: 5917 ChEBI: CHEBI:34910 IUPAC Name: 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine SMILES: C1CCC2=NN=NN2CC1

PubChem CID 5917
CAS 54-95-5
Molecular Weight (g/mol) 138.174
ChEBI CHEBI:34910
MDL Number MFCD00005939
SMILES C1CCC2=NN=NN2CC1
Synonym pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole
IUPAC Name 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
InChI Key CWRVKFFCRWGWCS-UHFFFAOYSA-N
Molecular Formula C6H10N4
9
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Iminodibenzyl, 97%

CAS: 494-19-9 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00005070 InChI Key: ZSMRRZONCYIFNB-UHFFFAOYSA-N Synonym: iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine PubChem CID: 10308 IUPAC Name: 6,11-dihydro-5H-benzo[b][1]benzazepine SMILES: C1CC2=CC=CC=C2NC2=CC=CC=C12

EDGE
PubChem CID 10308
CAS 494-19-9
Molecular Weight (g/mol) 195.27
MDL Number MFCD00005070
SMILES C1CC2=CC=CC=C2NC2=CC=CC=C12
Synonym iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine
IUPAC Name 6,11-dihydro-5H-benzo[b][1]benzazepine
InChI Key ZSMRRZONCYIFNB-UHFFFAOYSA-N
Molecular Formula C14H13N
10

5-Acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine 98.0+%, TCI America™

CAS: 25961-11-9 Molecular Formula: C16H14ClNO Molecular Weight (g/mol): 271.744 MDL Number: MFCD01632170 InChI Key: NMZOSOMVILZBJL-UHFFFAOYSA-N PubChem CID: 117681 IUPAC Name: 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

PubChem CID 117681
CAS 25961-11-9
Molecular Weight (g/mol) 271.744
MDL Number MFCD01632170
SMILES CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
IUPAC Name 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
InChI Key NMZOSOMVILZBJL-UHFFFAOYSA-N
Molecular Formula C16H14ClNO
11
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10,11-Dihydrocarbamazepine, 99%

CAS: 3564-73-6 Molecular Formula: C15H14N2O Molecular Weight (g/mol): 238.29 MDL Number: MFCD00005072 InChI Key: PHNLCHMJDSSPDQ-UHFFFAOYSA-N Synonym: 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide PubChem CID: 19099 IUPAC Name: 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide SMILES: NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12

PubChem CID 19099
CAS 3564-73-6
Molecular Weight (g/mol) 238.29
MDL Number MFCD00005072
SMILES NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12
Synonym 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide
IUPAC Name 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
InChI Key PHNLCHMJDSSPDQ-UHFFFAOYSA-N
Molecular Formula C15H14N2O
12
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Iminodibenzyl, 97%

CAS: 494-19-9 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00005070 InChI Key: ZSMRRZONCYIFNB-UHFFFAOYSA-N Synonym: iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine PubChem CID: 10308 SMILES: C1CC2=CC=CC=C2NC2=CC=CC=C12

PubChem CID 10308
CAS 494-19-9
Molecular Weight (g/mol) 195.27
MDL Number MFCD00005070
SMILES C1CC2=CC=CC=C2NC2=CC=CC=C12
Synonym iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine
InChI Key ZSMRRZONCYIFNB-UHFFFAOYSA-N
Molecular Formula C14H13N
13
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Iminostilbene, 97%

CAS: 256-96-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00005071 InChI Key: LCGTWRLJTMHIQZ-UHFFFAOYSA-N Synonym: iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino PubChem CID: 9212 ChEBI: CHEBI:47802 IUPAC Name: 11H-benzo[b][1]benzazepine SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2

PubChem CID 9212
CAS 256-96-2
Molecular Weight (g/mol) 193.249
ChEBI CHEBI:47802
MDL Number MFCD00005071
SMILES C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
Synonym iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino
IUPAC Name 11H-benzo[b][1]benzazepine
InChI Key LCGTWRLJTMHIQZ-UHFFFAOYSA-N
Molecular Formula C14H11N
14
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Oxcarbazepine, 98%

CAS: 28721-07-5 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00865307 InChI Key: CTRLABGOLIVAIY-UHFFFAOYSA-N Synonym: oxcarbazepine,trileptal,oxcarbamazepine,oxacarbazepine,oxcarbazepina,oxcarbazepinum,timox,oxcarbazepinum inn-latin,oxcarbazepina inn-spanish,oxcarbazepine inn PubChem CID: 34312 ChEBI: CHEBI:7824 IUPAC Name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N

PubChem CID 34312
CAS 28721-07-5
Molecular Weight (g/mol) 252.273
ChEBI CHEBI:7824
MDL Number MFCD00865307
SMILES C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
Synonym oxcarbazepine,trileptal,oxcarbamazepine,oxacarbazepine,oxcarbazepina,oxcarbazepinum,timox,oxcarbazepinum inn-latin,oxcarbazepina inn-spanish,oxcarbazepine inn
IUPAC Name 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
InChI Key CTRLABGOLIVAIY-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
15

10-Methoxy-5H-dibenzo[b,f]azepine 98.0+%, TCI America™

CAS: 11-7-4698 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00101079 InChI Key: ZKHZWXLOSIGIGZ-UHFFFAOYSA-N Synonym: 10-Methoxy-2,2′C-iminostilbene PubChem CID: 78424 IUPAC Name: 5-methoxy-11H-benzo[b][1]benzazepine SMILES: COC1=CC2=CC=CC=C2NC3=CC=CC=C31

PubChem CID 78424
CAS 11-7-4698
Molecular Weight (g/mol) 223.28
MDL Number MFCD00101079
SMILES COC1=CC2=CC=CC=C2NC3=CC=CC=C31
Synonym 10-Methoxy-2,2′C-iminostilbene
IUPAC Name 5-methoxy-11H-benzo[b][1]benzazepine
InChI Key ZKHZWXLOSIGIGZ-UHFFFAOYSA-N
Molecular Formula C15H13NO