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Search results for: '70069-04-4'
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Fenpyroximate
Cas Number: 111812-58-9Formula: C24H27N3O4Molecular weight: 421.49Synonyms: 4-hydroxy-4-(4-bromophenyl)piperidine | DL-Fenpyroximate | NCGC00163915-04 | (E)-Fenpyroximate | Fen...SMILES: CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)CInChIKey: YYJNOYZRYGDPNH-MFKUBSTISA-NInChI: InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
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3,5-Dichloro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
Cas Number: 1321613-04-0Formula: C14H17BCl2O4Molecular weight: 331Synonyms: 1321613-04-0|Methyl 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|3,5-Dichlor...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)C(=O)OC)ClInChIKey: JQJYCPNGBPJIFX-UHFFFAOYSA-NInChI: InChI=1S/C14H17BCl2O4/c1-13(2)14(3,4)21-15(20-13)8-6-9(16)11(10(17)7-8)12(18)19-5/h6-7H,1-5H3
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TetrahydroCurcumin
Cas Number: 36062-04-1(DMSO)Formula: C21H24O6Molecular weight: 372.412Synonyms: Tetrahydrocurcumin|36062-04-1|1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione|Sabiwhite|Tetrahyd...SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)OInChIKey: LBTVHXHERHESKG-UHFFFAOYSA-NInChI: InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
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2,6-Dichloro-4-methylnicotinic acid methyl ester
Cas Number: 1013648-04-8Formula: C8H7Cl2NO2Molecular weight: 220.05Synonyms: methyl 2,6-dichloro-4-methylnicotinate|1013648-04-8|methyl 2,6-dichloro-4-methylpyridine-3-carboxyla...SMILES: CC1=CC(=NC(=C1C(=O)OC)Cl)ClInChIKey: QOTFUYQFPHLJTM-UHFFFAOYSA-NInChI: InChI=1S/C8H7Cl2NO2/c1-4-3-5(9)11-7(10)6(4)8(12)13-2/h3H,1-2H3
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4-Chloro-3,5-dimethylphenol
Formula: C8H9OClMolecular weight: 156.61Synonyms: chloroxylenol|4-Chloro-3,5-dimethylphenol|88-04-0|PCMX|Dettol|4-Chloro-3,5-xylenol|Benzytol|p-Chloro...SMILES: CC1=CC(=CC(=C1Cl)C)OInChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
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4-Bromo-3-(hydroxymethyl)benzoic acid
Cas Number: 790230-04-5Formula: C8H7BrO3Molecular weight: 231.04Synonyms: 4-bromo-3-(hydroxymethyl)benzoic acid|790230-04-5|4-Bromo-3-(hydroxymethyl)benzoicacid|SCHEMBL976882...SMILES: C1=CC(=C(C=C1C(=O)O)CO)BrInChIKey: ZKHGQEFOBYVUFQ-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12)
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1-Bromo-4-fluoro-2,5-dimethylbenzene
Cas Number: 51760-04-4Formula: C8H8BrFMolecular weight: 203.1Synonyms: 1-Bromo-4-fluoro-2,5-dimethylbenzene|51760-04-4|4-Bromo-2,5-dimethylfluorobenzene|2-Bromo-5-fluoro-p...SMILES: CC1=CC(=C(C=C1Br)C)FInChIKey: OJWDSJPXBFLCFO-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrF/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3
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3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid
Cas Number: 1261972-04-6Formula: C15H10F4O2Molecular weight: 298.2Synonyms: 1261972-04-6|3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid|3-(3-FLUORO-4...SMILES: CC1=C(C=C(C=C1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)FInChIKey: GKYADOUZTBGAPJ-UHFFFAOYSA-NInChI: InChI=1S/C15H10F4O2/c1-8-2-3-9(7-13(8)16)10-4-11(14(20)21)6-12(5-10)15(17,18)19/h2-7H,1H3,(H,20,21)
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5-Bromo-2-ethoxy-4-methylpyridine
Cas Number: 610279-04-4Formula: C8H10BrNOMolecular weight: 216.1Synonyms: 5-bromo-2-ethoxy-4-methylpyridine|610279-04-4|Pyridine, 5-bromo-2-ethoxy-4-methyl- (9CI)|5-bromo-2-e...SMILES: CCOC1=NC=C(C(=C1)C)BrInChIKey: YHBHSFKVMVMPGU-UHFFFAOYSA-NInChI: InChI=1S/C8H10BrNO/c1-3-11-8-4-6(2)7(9)5-10-8/h4-5H,3H2,1-2H3
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4-DAMP, Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
Cas Number: 81405-11-0Synonyms: NCGC00015304-09 | Q27073759 | 4-((2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYLPIPERIDINIUM | Lopac-D-104 | U...SMILES: O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)CInChIKey: HYJRTXSYDAFGJK-UHFFFAOYSA-NInChI: InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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4-Biphenylglyoxal hydrate
Cas Number: 1145-04-6Formula: C14H12O3Molecular weight: 228.2Synonyms: 4-Biphenylglyoxal hydrate|1145-04-6|1-([1,1'-Biphenyl]-4-yl)-2,2-dihydroxyethanone|2,2-dihydroxy-1-(...SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(O)OInChIKey: DNYMAUICCMLWCF-UHFFFAOYSA-NInChI: InChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16-17H
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DOI, Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor
Synonyms: NCGC00015302-03 | NCGC00015302-04 | F15177 | Benzeneethanamine,?4-iodo-2,5-dimethoxy-.alpha.-methyl-...SMILES: COc1cc(I)c(cc1CC(N)C)OCInChIKey: BGMZUEKZENQUJY-UHFFFAOYSA-NInChI: InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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3-Bromo-4-nitropyridine
Cas Number: 89364-04-5Formula: C5H3BrN2O2Molecular weight: 202.99Synonyms: 3-Bromo-4-nitropyridine|89364-04-5|MFCD03085767|PYRIDINE, 3-BROMO-4-NITRO-|4-nitro-3-bromopyridine|3...SMILES: C1=CN=CC(=C1[N+](=O)[O-])BrInChIKey: CJEWCWSWUUFORD-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
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3-(4-tert-Butylphenyl)-3-oxopropanenitrile
Cas Number: 39528-62-6Formula: C13H15NOMolecular weight: 201.26Synonyms: 39528-62-6|3-(4-tert-butylphenyl)-3-oxopropanenitrile|4-tert-Butylbenzoylacetonitrile|3-(4-(tert-But...SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC#NInChIKey: LKZFEKFWLCDIBF-UHFFFAOYSA-NInChI: InChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3
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Balsalazide
Cas Number: 80573-04-2Formula: C17H15N3O6Molecular weight: 357.32Synonyms: BALSALAZIDE|80573-04-2|Balsalazido|Balsalazida|Balsalazidum|Balsalazidum [Latin]|Balsalazida [Spanis...SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)OInChIKey: IPOKCKJONYRRHP-UHFFFAOYSA-NInChI: InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)
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Minaprine dihydrochloride
Cas Number: 25905-77-5 EC Number: 247-329-8Formula: C17H22N4O•2HClMolecular weight: 371.3Synonyms: KBio2_004382 | KBioGR_000716 | SBI-0051647.P002 | minaprine | NCGC00016795-04 | AB00053599 | BSPBio_...SMILES: CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3InChIKey: LDMWSLGGVTVJPG-UHFFFAOYSA-NInChI: InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
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Pyrazosulfuron
Cas Number: 98389-04-9Formula: C12H14N6O7SMolecular weight: 386.34Synonyms: Pyrazosulfuron|98389-04-9|XRH8L723X7|CHEBI:82037|5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]...SMILES: CN1C(=C(C=N1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OCInChIKey: VXMNDQDDWDDKOQ-UHFFFAOYSA-NInChI: InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)
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Dichloromethylvinylsilane
Formula: C3H6Cl2SiMolecular weight: 141.07Synonyms: Methyldichlorovinylsilane | Silane, dichloroethenylmethyl- | J-005161 | METHYLETHENYLDICHLOROSILANE ...SMILES: C[Si](C=C)(Cl)ClInChIKey: YLJJAVFOBDSYAN-UHFFFAOYSA-NInChI: InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3
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Ethopabate
Formula: C12H15NO4Molecular weight: 237.25Synonyms: ETHOPABATE [USP MONOGRAPH] | NCGC00160624-01 | Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester...SMILES: CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OCInChIKey: GOVWOKSKFSBNGD-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
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2-amino-4-(benzofuran-2-yl)-thiazole
Cas Number: 3084-04-6Formula: C11H8N2OSMolecular weight: 216.26Synonyms: 4-Benzofuran-2-yl-thiazol-2-ylamine|3084-04-6|4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine|4-(benzofura...SMILES: C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)NInChIKey: IQIAVCUUQIGJPO-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)
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5-fluorobenzo[d][1,3]dioxol-4-amine
Cas Number: 492444-04-9Formula: C7H6FNO2Molecular weight: 155.13Synonyms: 492444-04-9|5-FLUORO-1,3-BENZODIOXOL-4-AMINE|5-Fluorobenzo[d][1,3]dioxol-4-amine|5-fluoro-2H-1,3-ben...SMILES: C1OC2=C(O1)C(=C(C=C2)F)NInChIKey: HXEMSUWXUXWSHQ-UHFFFAOYSA-NInChI: InChI=1S/C7H6FNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2
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4-Hydroxyphenyl Methyl Sulfone
Cas Number: 14763-60-1Formula: C7H8O3SMolecular weight: 172.2Synonyms: SY007820 | AE-848/33833060 | BP-10814 | 4-methanesulfonylphenol | 4-Methanesulfonyl-phenol | BDBM502...SMILES: CS(=O)(=O)C1=CC=C(C=C1)OInChIKey: KECCFSZFXLAGJS-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3
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LX-4211, Sodium/glucose cotransporter 2 inhibitor
Cas Number: 1018899-04-1Formula: C21H25ClO5SMolecular weight: 424.94Synonyms: A852129 | Sotagliflozin (LX4211) | Sotagliflozin (LX-4211) | 1018899-04-1 | Tox21_501139 | UNII-6B4Z...SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)ClInChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-NInChI: InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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Dimethylenastron
Cas Number: 863774-58-7Formula: C16H18N2O2SMolecular weight: 302.39Synonyms: NCGC00387255-04 | A917740 | BCP17179 | C76804 | Eg5 inhibitor iii,dimethylenastron | Eg5 inhibitor I...SMILES: CC1(CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)O)C(=O)C1)CInChIKey: RUOOPLOUUAYNPY-UHFFFAOYSA-NInChI: InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)
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