Benzoxazepines

6'-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-tetralin]-7-carboxylic acid

Grade & Purity:

≥97%

Cas Number: 2763038-63-5 Compound CID: 118903598

Formula: C₁₉H₁₈NO₃Cl Molecular Weight: 343.8

IUPAC Name: 7-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-4,5-dihydro-2H-1,5-benzoxazepine]-7'-carboxylic acid

SMILES: C1CC2=C(C=CC(=C2)Cl)C3(C1)CNC4=C(C=CC(=C4)C(=O)O)OC3

InChIKey: JXZIUGGBWCCSFA-UHFFFAOYSA-N

InChI: InChI=1S/C19H18ClNO3/c20-14-4-5-15-12(8-14)2-1-7-19(15)10-21-16-9-13(18(22)23)3-6-17(16)24-11-19/h3-6,8-9,21H,1-2,7,10-11H2,(H,22,23)

Synonyms: SCHEMBL17542341 | F78301 | 6'-CHLOROSPIRO[4,5-DIHYDRO-2H-1,5-BENZOXAZEPINE-3,1'-TETRALIN]-7-CARBOXYLIC ACID | 2763038...

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4-tert-butoxycarbonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid

Grade & Purity:

≥97%

Cas Number: 1142210-79-4 EC Number: 825-345-1 Compound CID: 25220749

Formula: C₁₅H₁₉NO₅ Molecular Weight: 293.31

IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)C(=O)O

InChIKey: DSHOQJKFXSQKPD-UHFFFAOYSA-N

InChI: InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-6-7-20-12-5-4-10(13(17)18)8-11(12)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)

Synonyms: LS-03228 | 4-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carboxylic acid | EN300-265691 | F89237...

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(3S)-6'-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-tetralin]-7-carboxylic acid

Grade & Purity:

≥97%

Cas Number: 1883726-83-7 Compound CID: 118903595

Formula: C₁₉H₁₈NO₃Cl Molecular Weight: 343.8

IUPAC Name: (4S)-7-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-4,5-dihydro-2H-1,5-benzoxazepine]-7'-carboxylic acid

SMILES: C1CC2=C(C=CC(=C2)Cl)C3(C1)CNC4=C(C=CC(=C4)C(=O)O)OC3

InChIKey: JXZIUGGBWCCSFA-IBGZPJMESA-N

InChI: InChI=1S/C19H18ClNO3/c20-14-4-5-15-12(8-14)2-1-7-19(15)10-21-16-9-13(18(22)23)3-6-17(16)24-11-19/h3-6,8-9,21H,1-2,7,10-11H2,(H,22,23)/t19-/m0/s1

Synonyms: (3S)-6'-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-tetralin]-7-carboxylic acid | (S)-6'-chloro-3',4,4',5-tetra...

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I-CBP112

Grade & Purity:

Moligand™

IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3S)-1-methylpiperidin-3-yl]methoxy}-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one

SMILES: CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C1)C)c1ccc(c(c1)OC)OC

InChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChI: InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12show more

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CP-294838

Grade & Purity:

Moligand™

IUPAC Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid

SMILES: OC(=O)CC1OC(c2c(N(C1=O)CC(C)(C)C)ccc(c2)Cl)c1ccccc1Cl

InChIKey: BHDQOMHFEOHAQK-UHFFFAOYSA-N

InChI: InChI=1S/C22H23Cl2NO4/c1-22(2,3)12-25-17-9-8-13(23)10-15(17)20(14-6-4-5-7-16(14)24)29-18(21(25)28)11-19(26)27/h4-10,18,20H,11-12H2,1-3H3,(H,26,27)

Synonyms: CP 294838;CP294838

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3-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}propanoic acid

Grade & Purity:

Moligand™

IUPAC Name: 3-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}propanoic acishow more

SMILES: COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C

InChIKey: PILXQRRCKWZQCO-ZJSXRUAMSA-N

InChI: InChI=1S/C27H33ClN2O8/c1-27(2,15-31)14-30-19-9-8-16(28)12-18(19)24(17-6-5-7-20(36-3)25(17)37-4)38-21(26(30)35)13-22(32)29-11-10-23(33)34/h5-9,12,21,24show more

Synonyms: compound 3f

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XL388

Grade & Purity:

Moligand™

2mM in DMSO

Cas Number: 1251156-08-7 Compound CID: 59604787

Formula: C₂₃H₂₂FN₃O₄S Molecular Weight: 455.5

IUPAC Name: [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone

SMILES: CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N

InChIKey: LNFBAYSBVQBKFR-UHFFFAOYSA-N

InChI: InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,show more

Synonyms: XL388|1251156-08-7|XL-388|(7-(6-aminopyridin-3-yl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)(3-fluoro-2-methyl-4-(me...

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Loxapine succinate

Grade & Purity:

10mM in DMSO

Cas Number: 27833-64-3 Compound CID: 71399

Formula: C₂₂H₂₄ClN₃O₅ Molecular Weight: 445.9

IUPAC Name: butanedioic acid;8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)O)C(=O)O

InChIKey: YQZBAXDVDZTKEQ-UHFFFAOYSA-N

InChI: InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)show more

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Loxapine succinate

Grade & Purity:

≥99%

Cas Number: 27833-64-3 Compound CID: 71399

Formula: C₂₂H₂₄ClN₃O₅ Molecular Weight: 445.9

IUPAC Name: butanedioic acid;8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)O)C(=O)O

InChIKey: YQZBAXDVDZTKEQ-UHFFFAOYSA-N

InChI: InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)show more

Synonyms: HMS2095K06 | LOXAPINE SUCCINATE [ORANGE BOOK] | 2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine Succina...

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Loxapine

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 1977-10-2

Formula: C₁₈H₁₈ClN₃O Molecular Weight: 327.81

IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChIKey: XJGVXQDUIWGIRW-UHFFFAOYSA-N

InChI: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3

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Lapaquistat Acetate

Cas Number: 189060-13-7

Formula: C₃₃H₄₁ClN₂O₉ Molecular Weight: 645.14

IUPAC Name: 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid

SMILES: CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC

InChIKey: CMLUGNQVANVZHY-POURPWNDSA-N

InChI: InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)1show more

Synonyms: 2-(1-(2-((3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydrobenzo[e][1...

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I-CBP 112

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 1640282-31-0

Formula: C₂₇H₃₆N₂O₅ Molecular Weight: 468.59

IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

SMILES: CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC

InChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChI: InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12show more

Synonyms: 1-[7-(3,4-Dimethoxyphenyl)-2,3-dihydro-9-[[(3S)-1-methyl-3-piperidinyl]methoxy]-1,4-benzoxazepin-4(5H)-yl]-1-propanon...

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Benzoxazepines

Description:

Ancestors: