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Search results for: '25465-77-4'
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(4-Methoxy-3-methylpyridin-2-yl)methanol
Cas Number: 86604-77-5Formula: C8H11NO2Molecular weight: 153.18Synonyms: (4-methoxy-3-methylpyridin-2-yl)methanol|86604-77-5|4-METHOXY-3-METHYL-2-PYRIDINEMETHANOL|4-Methoxy-...SMILES: CC1=C(C=CN=C1CO)OCInChIKey: LSHQBGRAEVQZBJ-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c1-6-7(5-10)9-4-3-8(6)11-2/h3-4,10H,5H2,1-2H3
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VBIT-4
Cas Number: 2086257-77-2Formula: C21H23ClF3N3O3Molecular weight: 457.87Synonyms: VBIT-4|2086257-77-2|N-(4-chlorophenyl)-4-hydroxy-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]but...SMILES: C1CN(CCN1C2=CC=C(C=C2)OC(F)(F)F)C(CC(=O)NC3=CC=C(C=C3)Cl)COInChIKey: QYSQXVAEFPWMEM-UHFFFAOYSA-NInChI: InChI=1S/C21H23ClF3N3O3/c22-15-1-3-16(4-2-15)26-20(30)13-18(14-29)28-11-9-27(10-12-28)17-5-7-19(8-6-17)31-21(23,24)25/h1-8,18,29H,9-14H2,(H,26,30)
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3-Nitro-4-(trifluoromethoxy)benzoic acid
Cas Number: 784-77-0Formula: C8H4F3NO5Molecular weight: 251.12Synonyms: 3-Nitro-4-(trifluoromethoxy)benzoic acid|784-77-0|Benzoic acid, 3-nitro-4-(trifluoromethoxy)-|MFCD13...SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OC(F)(F)FInChIKey: GDBCQTKUSLDFRP-UHFFFAOYSA-NInChI: InChI=1S/C8H4F3NO5/c9-8(10,11)17-6-2-1-4(7(13)14)3-5(6)12(15)16/h1-3H,(H,13,14)
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4-(4-Methoxyphenyl)aniline
Cas Number: 1137-77-5Formula: C13H13NOMolecular weight: 199.2Synonyms: 1137-77-5|4-(4-methoxyphenyl)aniline|4'-Methoxy-[1,1'-biphenyl]-4-amine|4'-methoxybiphenyl-4-ylamine...SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)NInChIKey: WGURSKWDHNBQAD-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,14H2,1H3
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Phenolphthalein
Formula: C20H14O4Molecular weight: 318.33Synonyms: phenolphthalein|77-09-8|Phthalimetten|Euchessina|Phthalin|Espotabs|Phenolax|Purgophen|Koprol|Laxogen...SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OInChIKey: KJFMBFZCATUALV-UHFFFAOYSA-NInChI: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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4'-methylvalerophenone
Cas Number: 1671-77-8Formula: C12H16OSynonyms: 4'-Methylvalerophenone|1671-77-8|1-(p-tolyl)pentan-1-one|1-(4-methylphenyl)pentan-1-one|4-Methyl-1-p...SMILES: CCCCC(=O)C1=CC=C(C=C1)CInChIKey: BCVCZJADTSTKNH-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
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4-chloropyrido[3,2-d]pyrimidine
Cas Number: 51674-77-2Formula: C7H4ClN3Molecular weight: 165.58Synonyms: 4-Chloropyrido[3,2-d]pyrimidine|51674-77-2|Pyrido[3,2-d]pyrimidine, 4-chloro-|MFCD10566748|4-chloro-...SMILES: C1=CC2=C(C(=NC=N2)Cl)N=C1InChIKey: PVTHTRIHQGKZNE-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H
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(1S,3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-cyclopentanecarboxylic acid
Cas Number: 1008773-77-0Formula: C11H19NO5Molecular weight: 245.27Synonyms: 1008773-77-0 | (1S,3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-cyclopentanecarboxylic acid | (1S,3...SMILES: CC(C)(C)OC(=O)NC1CC(CC1O)C(=O)OInChIKey: LUFYOKRQPSBJIS-XLPZGREQSA-NInChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-7-4-6(9(14)15)5-8(7)13/h6-8,13H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-,7+,8+/m0/s1
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4-[1-(4-hydroxyphenyl)-2,2-diphenylethenyl]phenol
Cas Number: 919789-77-8Formula: C26H20O2Molecular weight: 364.436Synonyms: 4,4'-(2,2-Diphenylethene-1,1-diyl)diphenol|919789-77-8|4-[1-(4-HYDROXYPHENYL)-2,2-DIPHENYLETHENYL]PH...SMILES: C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=CC=C4InChIKey: OXBSSBYVVMIMMP-UHFFFAOYSA-NInChI: InChI=1S/C26H20O2/c27-23-15-11-21(12-16-23)26(22-13-17-24(28)18-14-22)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18,27-28H
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MBP146-78
Cas Number: 188343-77-3Formula: C21H22FN3Molecular weight: 335.42Synonyms: 188343-77-3|MBP146-78|Pyridine, 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrrol-3-yl]-|4-...SMILES: CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4InChIKey: RBWNFHXBUDPAIO-UHFFFAOYSA-NInChI: InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3
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5-(4-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
Cas Number: 41125-77-3Formula: C8H5N3O4Molecular weight: 207.1Synonyms: 5-(4-nitrophenyl)-1,3,4-oxadiazol-2-ol|41125-77-3|5-(4-NITROPHENYL)-3H-1,3,4-OXADIAZOL-2-ONE|CHEMBL4...SMILES: C1=CC(=CC=C1C2=NNC(=O)O2)[N+](=O)[O-]InChIKey: ADUFTMJBLYUADS-UHFFFAOYSA-NInChI: InChI=1S/C8H5N3O4/c12-8-10-9-7(15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,10,12)
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2'-Chloro-4'-methylbiphenyl-3-carboxylic acid
Cas Number: 1215206-77-1Formula: C14H11ClO2Molecular weight: 246.7Synonyms: 1215206-77-1|2'-CHLORO-4'-METHYLBIPHENYL-3-CARBOXYLIC ACID|3-(2-chloro-4-methylphenyl)benzoic acid|2...SMILES: CC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)ClInChIKey: LQEIITZDAWEDHD-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClO2/c1-9-5-6-12(13(15)7-9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
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astemizole, Histamine H1 receptor antagonist
Cas Number: 68844-77-9 EC Number: 272-441-9Formula: C28H31FN4OMolecular weight: 458.57Synonyms: astemizole|68844-77-9|Hismanal|Histaminos|Paralergin|Laridal|Retolen|Astemison|Histamen|Kelp|Astemiz...SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)FInChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-NInChI: InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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4,5-Dicarboxy-γ-pentadecanolactone
Cas Number: 469-77-2Formula: C17H28O6Molecular weight: 328.41Synonyms: Spiculisporic acid|4,5-Dicarboxy-gamma-pentadecanolactone|469-77-2|Spiculesporic acid|2-(1-carboxyun...SMILES: CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)OInChIKey: TUXHHVJPGQUPCF-UHFFFAOYSA-NInChI: InChI=1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)
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Furaneol
Formula: C6H8O3Molecular weight: 128.13Synonyms: Furaneol|3658-77-3|4-hydroxy-2,5-dimethylfuran-3(2H)-one|4-Hydroxy-2,5-dimethyl-3(2H)-furanone|4-Hyd...SMILES: CC1C(=O)C(=C(O1)C)OInChIKey: INAXVXBDKKUCGI-UHFFFAOYSA-NInChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
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Lansoprazole Sulfone-d4
Cas Number: 1184999-77-6Formula: C16H10D4F3N3O3SMolecular weight: 389.38Synonyms: 1184999-77-6 | 2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfonyl}(4,5,6,7-~2~H_4_)-...SMILES: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)FInChIKey: TVMJMCGRSSSSDJ-QFFDRWTDSA-NInChI: InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D
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4-Carboxynaphthalene-1-boronic acid, pinacol ester
Cas Number: 1073353-77-1Formula: C17H19BO4Molecular weight: 298.1Synonyms: 1073353-77-1|4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoic acid|4-Carboxynaphthalene-1...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)C(=O)OInChIKey: NMXHQGWOOPQLBS-UHFFFAOYSA-NInChI: InChI=1S/C17H19BO4/c1-16(2)17(3,4)22-18(21-16)14-10-9-13(15(19)20)11-7-5-6-8-12(11)14/h5-10H,1-4H3,(H,19,20)
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5-bromo-4-methyl-indan-1-ol
Cas Number: 1956331-77-3Formula: C10H11OBrMolecular weight: 227.1Synonyms: 1956331-77-3 | 5-Bromo-4-methyl-2,3-dihydro-1H-inden-1-ol | 5-bromo-4-methyl-indan-1-ol | SCHEMBL237...SMILES: CC1=C(C=CC2=C1CCC2O)BrInChIKey: BXHBHXDSGGXWSH-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO/c1-6-7-3-5-10(12)8(7)2-4-9(6)11/h2,4,10,12H,3,5H2,1H3
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2-Ethylhexyl 4-Methoxycinnamate
Cas Number: 5466-77-3Formula: C18H26O3Molecular weight: 290.4Synonyms: Octinoxate|5466-77-3|83834-59-7|2-Ethylhexyl 4-methoxycinnamate|Parsol MCX|Parsol MOX|Parsol|2-Ethyl...SMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OCInChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-NInChI: InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
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4-Bromo-1-(2-bromophenylsulfonyl)-1H-pyrazole
Cas Number: 957062-77-0Formula: C9H6Br2N2O2SMolecular weight: 366Synonyms: 957062-77-0|4-Bromo-1-((2-bromophenyl)sulfonyl)-1H-pyrazole|4-Bromo-1-(2-bromophenylsulfonyl)-1H-pyr...SMILES: C1=CC=C(C(=C1)S(=O)(=O)N2C=C(C=N2)Br)BrInChIKey: SWTMIZJXKCERLX-UHFFFAOYSA-NInChI: InChI=1S/C9H6Br2N2O2S/c10-7-5-12-13(6-7)16(14,15)9-4-2-1-3-8(9)11/h1-6H
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UMI-77
Cas Number: 518303-20-3Formula: C18H14BrNO5S2Molecular weight: 468.34Synonyms: 2-[[4-[[(4-bromophenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]-acetic acidSMILES: C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)BrInChIKey: WUGANDSUVKXMEC-UHFFFAOYSA-NInChI: InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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Methyl 4-acetamido-5-chloro-2-hydroxybenzoate
Cas Number: 24190-77-0Formula: C10H10ClNO4Molecular weight: 243.64Synonyms: 24190-77-0|Methyl 4-acetamido-5-chloro-2-hydroxybenzoate|4-ACETYLAMINO-5-CHLORO-2-HYDROXYBENZOIC ACI...SMILES: CC(=O)NC1=C(C=C(C(=C1)O)C(=O)OC)ClInChIKey: LNWKABRRGNSRPQ-UHFFFAOYSA-NInChI: InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
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Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
Cas Number: 1072944-77-4Formula: C12H7BrF3NO3Molecular weight: 350.1Synonyms: Methyl8-bromo-4-hydroxy-5-(trifluoromethyl)quinoline-2-carboxylate | METHYL 8-BROMO-4-HYDROXY-5-TRIF...SMILES: COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)C(F)(F)FInChIKey: OPEUYXHXFXICBM-UHFFFAOYSA-NInChI: InChI=1S/C12H7BrF3NO3/c1-20-11(19)7-4-8(18)9-5(12(14,15)16)2-3-6(13)10(9)17-7/h2-4H,1H3,(H,17,18)
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pelubiprofen
Cas Number: 69956-77-0Synonyms: (+-)-p-(((E)-2-Oxocyclohexylidene)methyl)hydratropic acid | CAS-69956-77-0 | DB12150 | Q27251763 | B...SMILES: CC(C1=CC=C(C=C1)C=C2CCCCC2=O)C(=O)OInChIKey: AUZUGWXLBGZUPP-GXDHUFHOSA-NInChI: InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
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