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Search results for: '111-84-2'
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2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine
Cas Number: 1261998-84-8Formula: C13H9NOSMolecular weight: 227.3Synonyms: 1261998-84-8|6-(Benzo[b]thiophen-2-yl)pyridin-3-ol|2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine|6-(1-...SMILES: C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)OInChIKey: RTRDZUIOYHWHQF-UHFFFAOYSA-NInChI: InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H
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4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
Cas Number: 368-54-7Formula: C5H3F3N2OSMolecular weight: 197.16Synonyms: 2-Thioxo-6-trifluoromethyl-2,3-dihydro-1H-pyr imidin-4-one | AKOS005441782 | NSC400847 | NSC-400847 ...SMILES: C1=C(NC(=S)NC1=O)C(F)(F)FInChIKey: YZAOETRYQWFEOY-UHFFFAOYSA-NInChI: InChI=1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
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2-(1-methylpiperidin-4-yl)ethan-1-ol
Cas Number: 21156-84-3Formula: C8H17NOMolecular weight: 143.23Synonyms: 21156-84-3|2-(1-Methylpiperidin-4-yl)ethanol|1-Methyl-4-(hydroxyethyl)piperidine|2-(1-METHYLPIPERIDI...SMILES: CN1CCC(CC1)CCOInChIKey: PGPXRIFFCBCWEO-UHFFFAOYSA-NInChI: InChI=1S/C8H17NO/c1-9-5-2-8(3-6-9)4-7-10/h8,10H,2-7H2,1H3
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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile
Cas Number: 1463055-84-6Formula: C14H16BN3O2Molecular weight: 269.11Synonyms: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile | 1463055-84-6 | SCHEMBL1...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C#NInChIKey: ZFCDHGUCGBYZBN-UHFFFAOYSA-NInChI: InChI=1S/C14H16BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-16)18-17-11/h5-7H,1-4H3,(H,17,18)
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Buspirone, Agonist of 5-HT 1A receptor;Agonist of 5-HT 7 receptor;Antagonist of 5-HT 7 receptor
Cas Number: 36505-84-7Formula: C21H31N5O2Molecular weight: 385.5Synonyms: BPBio1_001403 | Lopac-B-7148 | NCGC00015162-01 | NCGC00016820-01 | Tox21_110092_1 | A924049 | Buspir...SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4InChIKey: QWCRAEMEVRGPNT-UHFFFAOYSA-NInChI: InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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Prazosin Hydrochloride, Adrenergic receptor alpha-1 antagonist
Cas Number: 19237-84-4Formula: C19H21N5O4·HClMolecular weight: 419.87Synonyms: Prazosin hydrochloride|19237-84-4|Prazosin HCl|Minipress|Vasoflex|Peripress|Furazosin hydrochloride|...SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC.ClInChIKey: WFXFYZULCQKPIP-UHFFFAOYSA-NInChI: InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H
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7-Chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol
Cas Number: 1150164-84-3Formula: C10H4ClF4NOMolecular weight: 265.6Synonyms: MFCD12026030 | 7-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one | 7-Chloro-8-fluoro-2-(triflu...SMILES: C1=CC(=C(C2=C1C(=O)C=C(N2)C(F)(F)F)F)ClInChIKey: FUPNDEQEFQAHST-UHFFFAOYSA-NInChI: InChI=1S/C10H4ClF4NO/c11-5-2-1-4-6(17)3-7(10(13,14)15)16-9(4)8(5)12/h1-3H,(H,16,17)
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4-Hydroxy-8-methoxy-2-(trifluoromethyl)quinoline
Cas Number: 41192-84-1Formula: C11H8F3NO2Molecular weight: 243.2Synonyms: 41192-84-1|4-Hydroxy-8-methoxy-2-(trifluoromethyl)quinoline|8-Methoxy-2-(trifluoromethyl)-4-quinolin...SMILES: COC1=CC=CC2=C1NC(=CC2=O)C(F)(F)FInChIKey: PJTJOLUVQOIHEC-UHFFFAOYSA-NInChI: InChI=1S/C11H8F3NO2/c1-17-8-4-2-3-6-7(16)5-9(11(12,13)14)15-10(6)8/h2-5H,1H3,(H,15,16)
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2,3,3'-Trichlorobiphenyl
Cas Number: 38444-84-7Formula: C12H7Cl3Molecular weight: 257.54Synonyms: 2,3,3'-TRICHLOROBIPHENYL|38444-84-7|2,3,3'-Trichloro-1,1'-biphenyl|1,2-dichloro-3-(3-chlorophenyl)be...SMILES: C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)ClInChIKey: SXHLTVKPNQVZGL-UHFFFAOYSA-NInChI: InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H
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METHYL ALPHA-CYANOCINNAMATE
Cas Number: 3695-84-9Formula: C11H9NO2Molecular weight: 187.2Synonyms: Methyl 2-cyano-3-phenylacrylate|14533-86-9|Methyl (E)-2-Cyano-3-phenylacrylate|3695-84-9|Methyl alph...SMILES: COC(=O)C(=CC1=CC=CC=C1)C#NInChIKey: XLNFLJOWTRDNCX-JXMROGBWSA-NInChI: InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
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Benzbromarone, Solute carrier family 22 member 12 inhibitor
Formula: C17H12Br2O3Molecular weight: 424.08Synonyms: benzbromarone|3562-84-3|Benzbromaron|Desuric|Urinorm|Normurat|Uricovac|Minuric|Exurate|Hipurik|Azubr...SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)BrInChIKey: WHQCHUCQKNIQEC-UHFFFAOYSA-NInChI: InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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5-Bromo-2-pivaloylamino-3-picoline
Cas Number: 446299-84-9Formula: C11H15BrN2OMolecular weight: 271.2Synonyms: 446299-84-9|N-(5-Bromo-3-methylpyridin-2-yl)pivalamide|5-Bromo-2-pivaloylamino-3-picoline|N-(5-BROMO...SMILES: CC1=CC(=CN=C1NC(=O)C(C)(C)C)BrInChIKey: DJAJPKVIGCOGCY-UHFFFAOYSA-NInChI: InChI=1S/C11H15BrN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
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3-(t-Butyldimethylsilyloxy)-5-methylphenylboronic acid, pinacol ester
Cas Number: 1218789-84-4Formula: C19H33BO3SiMolecular weight: 348.4Synonyms: 1218789-84-4|tert-Butyldimethyl(3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)sila...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O[Si](C)(C)C(C)(C)C)CInChIKey: UEEPPRPYENTHLY-UHFFFAOYSA-NInChI: InChI=1S/C19H33BO3Si/c1-14-11-15(20-22-18(5,6)19(7,8)23-20)13-16(12-14)21-24(9,10)17(2,3)4/h11-13H,1-10H3
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N,N'-Dibenzylquinazoline-2,4-diamine
Cas Number: 177355-84-9Formula: C22H20N4Molecular weight: 340.42Synonyms: DBeQ|177355-84-9|N2,N4-dibenzylquinazoline-2,4-diamine|N,N'-dibenzylquinazoline-2,4-diamine|2-N,4-N-...SMILES: C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4InChIKey: QAIMUUJJAJBPCL-UHFFFAOYSA-NInChI: InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
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3-(3,4-Dihydroxyphenyl)-DL-alanine
Cas Number: 63-84-3Formula: C9H11NO4Molecular weight: 197.19Synonyms: DL-DOPA|63-84-3|3,4-Dihydroxy-DL-phenylalanine|2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid|dihydro...SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)OInChIKey: WTDRDQBEARUVNC-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
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2-Methoxy-¹³C,d₃-estrone
Cas Number: 1217460-84-8Formula: C19H24O3Molecular weight: 301.4Synonyms: (8R,9S,13S,14S)-3-Hydroxy-2-(113C)methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]p...SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)OInChIKey: WHEUWNKSCXYKBU-IQEHBMMRSA-NInChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1
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2,5-Dibromo-1,3-dimethylbenzene
Cas Number: 100189-84-2Formula: C8H8Br2Molecular weight: 263.96Synonyms: 2,5-dibromo-1,3-dimethylbenzene|100189-84-2|2,5-DIBROMO-M-XYLENE|Benzene, 2,5-dibromo-1,3-dimethyl-|...SMILES: CC1=CC(=CC(=C1Br)C)BrInChIKey: XXFGKGMZLZIPCN-UHFFFAOYSA-NInChI: InChI=1S/C8H8Br2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
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(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2-cyanophenyl)pyrrolidine-3-carboxylic acid
Cas Number: 1161787-84-3Formula: C17H20N2O4Molecular weight: 316.35Synonyms: 1161787-84-3|(3R,4S)-1-(tert-Butoxycarbonyl)-4-(2-cyanophenyl)pyrrolidine-3-carboxylic acid|1394827-...SMILES: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2C#NInChIKey: BHWWHVJMCKAYGA-KGLIPLIRSA-NInChI: InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-7-5-4-6-11(12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/m1/s1
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3-Bromo-5-fluoro-2-isopropoxyphenylboronic acid
Cas Number: 352534-84-0Formula: C9H11BBrFO3Molecular weight: 276.9Synonyms: 352534-84-0|3-Bromo-5-fluoro-2-isopropoxyphenylboronic acid|(3-Bromo-5-fluoro-2-isopropoxyphenyl)bor...SMILES: B(C1=CC(=CC(=C1OC(C)C)Br)F)(O)OInChIKey: QPUAAHCYYDGERH-UHFFFAOYSA-NInChI: InChI=1S/C9H11BBrFO3/c1-5(2)15-9-7(10(13)14)3-6(12)4-8(9)11/h3-5,13-14H,1-2H3
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Dibutyl phthalate, Activator of TRPA1
Formula: C16H22O4Molecular weight: 278.35Synonyms: DBP | dibutyl phthalate (DBP) | Palatinol C | Dibutyl 1,2-benzenedicarboxylate | Dibutyl 1,2-benzene...SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCInChIKey: DOIRQSBPFJWKBE-UHFFFAOYSA-NInChI: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
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4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid
Cas Number: 1261904-84-0Formula: C14H10ClFO3Molecular weight: 280.7Synonyms: 1261904-84-0|4-(2-CHLORO-5-METHOXYPHENYL)-3-FLUOROBENZOIC ACID|2'-Chloro-2-fluoro-5'-methoxy-[1,1'-b...SMILES: COC1=CC(=C(C=C1)Cl)C2=C(C=C(C=C2)C(=O)O)FInChIKey: UAJJDRBRMQMSRE-UHFFFAOYSA-NInChI: InChI=1S/C14H10ClFO3/c1-19-9-3-5-12(15)11(7-9)10-4-2-8(14(17)18)6-13(10)16/h2-7H,1H3,(H,17,18)
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N-(6-Chloropyridin-2-yl)pivalamide
Cas Number: 86847-84-9Formula: C10H13ClN2OMolecular weight: 212.68Synonyms: N-(6-Chloropyridin-2-yl)pivalamide|86847-84-9|N-(6-Chloro-pyridin-2-yl)-2,2-dimethyl-propionamide|N-...SMILES: CC(C)(C)C(=O)NC1=NC(=CC=C1)ClInChIKey: YPWKLBCTOUEZKE-UHFFFAOYSA-NInChI: InChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
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2-Chloroquinoline-3-boronic acid(contains varying amounts of Anhydride)
Cas Number: 128676-84-6Formula: C9H7BClNO2Molecular weight: 207.42Synonyms: 2-Chloroquinoline-3-boronic acid|128676-84-6|(2-chloroquinolin-3-yl)boronic Acid|2-Chloroquinolin-3-...SMILES: B(C1=CC2=CC=CC=C2N=C1Cl)(O)OInChIKey: JAQXYUOPSOXQCG-UHFFFAOYSA-NInChI: InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
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