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Benzoxazepines

Organic heterocyclic compounds that consist of benzene fused with an oxazepines; oxazepines are a seven-membered ring with five carbon atoms, one oxygen atom, and one nitrogen atoms.
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1

7-Hydroxy Amoxapine, TRC

CAS: 37081-76-8 Chemical Name or Material: 7-Hydroxy Amoxapine Formula Weight: 329.0931 InChI Formula: InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2 IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol Molecular Formula: C17 H16 Cl N3 O2 Molecular Weight (g/mol): 329.78 Recommended Storage: -20°C SMILES: Oc1ccc2N=C(N3CCNCC3)c4cc(Cl)ccc4Oc2c1

CAS 37081-76-8
Molecular Weight (g/mol) 329.78
InChI Formula InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2
Chemical Name or Material 7-Hydroxy Amoxapine
SMILES Oc1ccc2N=C(N3CCNCC3)c4cc(Cl)ccc4Oc2c1
Recommended Storage -20°C
Molecular Formula C17 H16 Cl N3 O2
IUPAC Name 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol
Formula Weight 329.0931
2

XL388, TRC

CAS: 1251156-08-7 Molecular Formula: C23 H22 F N3 O4 S Molecular Weight (g/mol): 455.5 Synonym: (7-(6-Aminopyridin-3-yl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)(3-fluoro-2-methyl-4-(methylsulfonyl)phenyl)methanone,[7-(6-Amino-3-pyridinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)phenyl]-methanone IUPAC Name: [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone SMILES: Cc1c(F)c(ccc1C(=O)N2CCOc3ccc(cc3C2)c4ccc(N)nc4)S(=O)(=O)C

CAS 1251156-08-7
Molecular Weight (g/mol) 455.5
SMILES Cc1c(F)c(ccc1C(=O)N2CCOc3ccc(cc3C2)c4ccc(N)nc4)S(=O)(=O)C
Synonym (7-(6-Aminopyridin-3-yl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)(3-fluoro-2-methyl-4-(methylsulfonyl)phenyl)methanone,[7-(6-Amino-3-pyridinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)phenyl]-methanone
IUPAC Name [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
Molecular Formula C23 H22 F N3 O4 S
3

Amoxapine, TRC

CAS: 14028-44-5 Chemical Name or Material: Amoxapine Formula Weight: 313.0982 InChI Formula: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2 IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine Molecular Formula: C17 H16 Cl N3 O Molecular Weight (g/mol): 313.78 Recommended Storage: -20°C SMILES: Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1 Synonym: 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine,Amoxan,Amoxapine,Asendin,Asendis,CL 67772,Demolox,Moxadil,Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-

CAS 14028-44-5
Molecular Weight (g/mol) 313.78
InChI Formula InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
Chemical Name or Material Amoxapine
Synonym 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine,Amoxan,Amoxapine,Asendin,Asendis,CL 67772,Demolox,Moxadil,Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-
SMILES Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1
Recommended Storage -20°C
Molecular Formula C17 H16 Cl N3 O
IUPAC Name 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Formula Weight 313.0982
4

8-Hydroxy Amoxapine, TRC

CAS: 61443-78-5 Chemical Name or Material: 8-Hydroxy Amoxapine Formula Weight: 365.0698 InChI Formula: InChI=1S/C17H16ClN3O2.ClH/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15;/h1-4,9-10,19,22H,5-8H2;1H IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-3-ol;hydrochloride Molecular Formula: C17 H16 Cl N3 O2 . Cl H Molecular Weight (g/mol): 366.24 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: Cl.Oc1ccc2Oc3ccc(Cl)cc3C(=Nc2c1)N4CCNCC4

Percent Purity >95%
CAS 61443-78-5
Molecular Weight (g/mol) 366.24
InChI Formula InChI=1S/C17H16ClN3O2.ClH/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15;/h1-4,9-10,19,22H,5-8H2;1H
Chemical Name or Material 8-Hydroxy Amoxapine
SMILES Cl.Oc1ccc2Oc3ccc(Cl)cc3C(=Nc2c1)N4CCNCC4
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C17 H16 Cl N3 O2 . Cl H
IUPAC Name 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-3-ol;hydrochloride
Formula Weight 365.0698
5

8-Hydroxy Loxapine, TRC

CAS: 61443-77-4 Chemical Name or Material: 8-Hydroxy Loxapine Formula Weight: 343.1088 InChI Formula: InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3 IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-3-ol Molecular Formula: C18 H18 Cl N3 O2 Molecular Weight (g/mol): 343.81 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: CN1CCN(CC1)C2=Nc3cc(O)ccc3Oc4ccc(Cl)cc24

Percent Purity >95%
CAS 61443-77-4
Molecular Weight (g/mol) 343.81
InChI Formula InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3
Chemical Name or Material 8-Hydroxy Loxapine
SMILES CN1CCN(CC1)C2=Nc3cc(O)ccc3Oc4ccc(Cl)cc24
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C18 H18 Cl N3 O2
IUPAC Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-3-ol
Formula Weight 343.1088