Benzocycloheptapyridines

3，10-Dibromo-8-chloro-6，11-dihydro-5H-benzo[5，6]cyclohepta[1，2-b]pyridine

Grade & Purity:

≥95%

Cas Number: 272107-22-9 Compound CID: 10157048

Formula: C₁₄H₁₀Br₂ClN Molecular Weight: 387.49

IUPAC Name: 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: C1CC2=C(CC3=C1C=C(C=C3Br)Cl)N=CC(=C2)Br

InChIKey: MLUVTRZDSIHGAD-UHFFFAOYSA-N

InChI: InChI=1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2

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rupatadine

Grade & Purity:

Moligand™

Cas Number: 158876-82-5 Compound CID: 133017

Formula: C26H26ClN3 Molecular Weight: 415.97

IUPAC Name: 13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2

InChIKey: WUZYKBABMWJHDL-UHFFFAOYSA-N

InChI: InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,show more

Synonyms: 13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6...

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SCH 40338

Grade & Purity:

Moligand™

IUPAC Name: 1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}piperazin-1-yl)ethan-1-one

SMILES: Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1

InChIKey: AIESXMXVDNOKQF-UHFFFAOYSA-N

InChI: InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3

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(3R)-4-{[6-(4-fluorophenyl)-4-(propan-2-yl)-3-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl]methyl phosphonato}-3-hydroxybutanoate

Grade & Purity:

Moligand™

IUPAC Name: (3R)-4-{[6-(4-fluorophenyl)-4-(propan-2-yl)-3-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl]methyl phosphonato}-3-hydroxybutanoshow more

SMILES: O[C@@H](CP(=O)(OCc1c(nc2c(c1c1ccc(cc1)F)CCCc1c2cccc1)C(C)C)[O-])CC(=O)[O-]

InChIKey: MZCZXPHMOGJQBJ-OAQYLSRUSA-L

InChI: InChI=1S/C28H31FNO6P/c1-17(2)27-24(15-36-37(34,35)16-21(31)14-25(32)33)26(19-10-12-20(29)13-11-19)23-9-5-7-18-6-3-4-8-22(18)28(23)30-27/h3-4,6,8,10-13show more

Synonyms: compound 6v

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Rupatadine Fumarate

Grade & Purity:

≥99%

Cas Number: 182349-12-8 Compound CID: 6449107

Formula: C₂₆H₂₆ClN₃·C₄H₄O₄ Molecular Weight: 532.03

IUPAC Name: (E)-but-2-enedioic acid;13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexashow more

SMILES: CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=CC(=O)O)C(=O)O

InChIKey: JYBLCDXVHQWMSU-WLHGVMLRSA-N

InChI: InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,1show more

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Azatadine maleate

Grade & Purity:

Moligand™

≥98%

Cas Number: 3964-81-6

Formula: C₂₈H₃₀N₂O₈ Molecular Weight: 522.55

IUPAC Name: 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

SMILES: CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1

InChIKey: SEBMTIQKRHYNIT-UHFFFAOYSA-N

InChI: InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3

Synonyms: 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine | 5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PY...

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8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine

Grade & Purity:

≥98%

Cas Number: 117811-20-8

Formula: C₁₉H₁₇ClN₂ Molecular Weight: 308.8

IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

SMILES: C1CNCCC1=C2C3=C(C=CC4=C2N=CC=C4)C=C(C=C3)Cl

InChIKey: DSDQPELJDBELOW-UHFFFAOYSA-N

InChI: InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-6,9,12,21H,7-8,10-11H2

Synonyms: 8-Chloro-11-(4-piperidinylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine | 13-chloro-2-(piperidin-4-ylidene)-4-azatri...

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11-Fluoro desloratadine

Grade & Purity:

≥97%

Cas Number: 298220-99-2

Formula: C₁₉H₂₀ClFN₂ Molecular Weight: 330.83

IUPAC Name: 13-chloro-2-fluoro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: C1CNCCC1C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F

InChIKey: UTRNCHWURQHTSN-UHFFFAOYSA-N

InChI: InChI=1S/C19H20ClFN2/c20-16-5-6-17-14(12-16)4-3-13-2-1-9-23-18(13)19(17,21)15-7-10-22-11-8-15/h1-2,5-6,9,12,15,22H,3-4,7-8,10-11H2

Synonyms: 8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; (11RS)-8-chloro-11-fluoro-...

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Desloratadine Pyridine N-oxide

Grade & Purity:

≥95%

Cas Number: 169253-26-3

Formula: C₁₉H₁₉ClN₂O Molecular Weight: 326.82

IUPAC Name: 13-chloro-4-oxido-2-piperidin-4-ylidene-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=[N+]4[O-]

InChIKey: ZTRQZDOHUHWANO-UHFFFAOYSA-N

InChI: InChI=1S/C19H19ClN2O/c20-16-5-6-17-15(12-16)4-3-14-2-1-11-22(23)19(14)18(17)13-7-9-21-10-8-13/h1-2,5-6,11-12,21H,3-4,7-10H2

Synonyms: Desloratadine N-Oxide | Desloratadine-d1N-Oxide | Desloratadine Pyridine Noxide | Desloratadine Pyridine N-oxide | 8-...

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JZP 361

Grade & Purity:

≥98%

Cas Number: 1680193-80-9

Formula: C₂₂H₂₀ClN₅O Molecular Weight: 405.88

IUPAC Name: [4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C(=O)N4C=NC=N4)C5=C1C=CC=N5

InChIKey: GAVZCGTYRWKKDV-UHFFFAOYSA-N

InChI: InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2

Synonyms: [4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]-1H-1,2,4-triazol-1-ylmetha...

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Azatadine dimaleate

Grade & Purity:

≥98%

Cas Number: 3978-86-7 Compound CID: 5281066

Formula: C₂₀H₂₂N₂.2C₄H₄O₄ Molecular Weight: 522.55

IUPAC Name: (Z)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

SMILES: CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

InChIKey: SGHXFFAHXTZRQM-SPIKMXEPSA-N

InChI: InChI=1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,show more

Synonyms: Optimine | AZATADINE MALEATE COMPONENT OF TRINALIN | UNII-F3Q391WTX7 | SCH10649 | SCH-10649 | AS-16886 | Optimine (TN...

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8-Chloroazatadine

Grade & Purity:

≥95%

Cas Number: 38092-89-6

Formula: C₂₀H₂₁ClN₂ Molecular Weight: 324.85

IUPAC Name: 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: CN1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1

InChIKey: VLXSCTINYKDTKR-UHFFFAOYSA-N

InChI: InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3

Synonyms: 70V8053T5G | 8-Chloro-5,6-dihydro-11H-benzo[5,6]Cyclohepto[1,2-b]pyridine-11-one | N-Methyl Desloratadine | N-Methyld...

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Benzocycloheptapyridines

Description:

Ancestors: