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Search results for: '80621-81-4(DMSO)'
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Rifaximin
Cas Number: 80621-81-4(DMSO)Formula: C43H51N3O11Molecular weight: 785.88Synonyms: (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(acetylox...SMILES: COC1\C=C\OC2(C)OC3=C(C2=O)C4=C(C(=C3C)O)C(=C(NC(=O)\C(=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C)C5=C4N=C6C=C(C)C=C[N]56)O
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HOKU-81
Cas Number: 58020-43-2Formula: C12H18ClNO2Molecular weight: 243.73Synonyms: AKOS030526852 | DTXSID90861329 | 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol | A915293 | H...SMILES: CC(C)(C)NCC(C1=C(C=C(C=C1)O)Cl)OInChIKey: LIXBJWRFCNRAPA-UHFFFAOYSA-NInChI: InChI=1S/C12H18ClNO2/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13/h4-6,11,14-16H,7H2,1-3H3
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Trametinib DMSO solvate, Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Cas Number: 1187431-43-1Formula: C28H29FIN5O5SMolecular weight: 693.53Synonyms: JTP-74057 (DMSO solvate) | AS-17069 | GSK-1120212 (DMSO solvate) | 1187431-43-1 | N-(3-(3-Cyclopropy...SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5.CS(=O)CInChIKey: OQUFJVRYDFIQBW-UHFFFAOYSA-NInChI: InChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3
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3,4,4',5-Tetrachlorobiphenyl
Cas Number: 70362-50-4Formula: C12H6Cl4Molecular weight: 291.99Synonyms: 3,4,4',5-TETRACHLOROBIPHENYL|70362-50-4|PCB 81|3,4,4',5-Tetrachloro-1,1'-biphenyl|UNII-7R8ZU2864J|1,...SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)ClInChIKey: BHWVLZJTVIYLIV-UHFFFAOYSA-NInChI: InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
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4-Trifluorophenylammonium Bromide
Cas Number: 148819-81-2Formula: C7H6F3N·HBrMolecular weight: 242.04Synonyms: 4-(Trifluoromethyl)aniline Hydrobromide|148819-81-2|4-(trifluoromethyl)aniline;hydrobromide|MFCD3206...SMILES: C1=CC(=CC=C1C(F)(F)F)N.BrInChIKey: YDUCBKSFOWFMMQ-UHFFFAOYSA-NInChI: InChI=1S/C7H6F3N.BrH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H
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4-Hydroxy-6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)-one
Cas Number: 55618-81-0Formula: C8H9NO2Molecular weight: 151.16Synonyms: 55618-81-0|4-Hydroxy-6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)-one|6,7-Dihydro-5H-cyclopenta[b]pyrid...SMILES: C1CC2=C(C1)NC(=O)C=C2OInChIKey: SCDZKHFXHRNLQM-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO2/c10-7-4-8(11)9-6-3-1-2-5(6)7/h4H,1-3H2,(H2,9,10,11)
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5-Methyl-4-phenyl-2H-pyrazol-3-amine
Cas Number: 60419-81-0Formula: C10H11N3Molecular weight: 173.2Synonyms: 3-Methyl-4-phenyl-1H-pyrazol-5-amine|60419-81-0|31924-81-9|5-Methyl-4-phenyl-2H-pyrazol-3-ylamine|5-...SMILES: CC1=C(C(=NN1)N)C2=CC=CC=C2InChIKey: UMDNRKCXSUJMCY-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
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4-Oxocyclohexanecarbaldehyde
Cas Number: 96184-81-5Formula: C7H10O2Molecular weight: 126.15Synonyms: 4-oxocyclohexanecarbaldehyde|96184-81-5|Cyclohexanone-4-carboxaldehyde|4-oxocyclohexane-1-carbaldehy...SMILES: C1CC(=O)CCC1C=OInChIKey: SFNKUFOBKQJUEB-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
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Isoliquiritin
Cas Number: 5041-81-6(DMSO)Formula: C21H22O9Molecular weight: 418.39Synonyms: Isoliquiritin|5041-81-6|Isoliquiritoside|7014-39-3|UNII-2Y348H1V4W|CHEBI:80839|2Y348H1V4W|(E)-1-(2,4...SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)OInChIKey: YNWXJFQOCHMPCK-LXGDFETPSA-NInChI: InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
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tert-butyl 3-(fluoromethyl)-3-hydroxy-piperidine-1-carboxylate
Cas Number: 1415841-81-4Formula: C11H20NO3FMolecular weight: 233.28Synonyms: BB 0259205 | E88443 | TERT-BUTYL 3-(FLUOROMETHYL)-3-HYDROXY-PIPERIDINE-1-CARBOXYLATE | 1415841-81-4SMILES: CC(C)(C)OC(=O)N1CCCC(C1)(CF)OInChIKey: AFXJYPGARPCJKQ-UHFFFAOYSA-NInChI: InChI=1S/C11H20FNO3/c1-10(2,3)16-9(14)13-6-4-5-11(15,7-12)8-13/h15H,4-8H2,1-3H3
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(S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate
Cas Number: 737000-81-6Formula: C9H8ClNSMolecular weight: 197.69Synonyms: (S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE|737000-81-6|1-chloro-4-[(1S)-1-isothiocyanatoethyl]be...SMILES: CC(C1=CC=C(C=C1)Cl)N=C=SInChIKey: BQJKNZREKDQMQA-ZETCQYMHSA-NInChI: InChI=1S/C9H8ClNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
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3-(Dimethylamino)acrylic Acid Ethyl Ester
Cas Number: 924-99-2Formula: C7H13NO2Molecular weight: 143.18Synonyms: Ethyl trans-3-(N,N-dimethylamino)acrylate | N,N'-Bis-(4-nitrophenyl)urea 100 microg/mL in Acetonitri...SMILES: CCOC(=O)C=CN(C)CInChIKey: MVUMJYQUKKUOHO-AATRIKPKSA-NInChI: InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
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2-(Benzyloxy)-4-iodopyridine
Cas Number: 896155-81-0Formula: C12H10INOMolecular weight: 311.12Synonyms: 2-(BENZYLOXY)-4-IODOPYRIDINE|896155-81-0|4-iodo-2-phenylmethoxypyridine|SCHEMBL3282879|DTXSID4047076...SMILES: C1=CC=C(C=C1)COC2=NC=CC(=C2)IInChIKey: FAXVLOXMMCVGFP-UHFFFAOYSA-NInChI: InChI=1S/C12H10INO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
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(3R,4R)-3-fluoro-4-methoxypiperidine hydrochloride
Cas Number: 2306248-81-5Synonyms: (3R,4R)-3-Fluoro-4-methoxypiperidine hydrochloride | 2306248-81-5 | trans-3-Fluoro-4-methoxypiperidi...SMILES: COC1CCNCC1F.ClInChIKey: RXBHOPYLIYPIMX-KGZKBUQUSA-NInChI: InChI=1S/C6H12FNO.ClH/c1-9-6-2-3-8-4-5(6)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
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(2R,4S)-1-benzyloxycarbonyl-4-(tert-butoxycarbonylamino)pyrrolidine-2-carboxylic acid
Cas Number: 489446-81-3Formula: C18H24N2O6Molecular weight: 364.39Synonyms: (2R,4S)-1-benzyloxycarbonyl-4-(tert-butoxycarbonylamino)pyrrolidine-2-carboxylic acid | 489446-81-3 ...SMILES: CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OInChIKey: DDWOAECQYPSHMZ-UONOGXRCSA-NInChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-13-9-14(15(21)22)20(10-13)17(24)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14+/m0/s1
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4-Bromocyclohexanamine hydrochloride
Cas Number: 99337-81-2Formula: C6H13BrClNMolecular weight: 214.53Synonyms: 4-Bromocyclohexanamine hydrochloride|99337-81-2|4-Bromo-cyclohexylamine hydrochloride|4-Bromocyclohe...SMILES: C1CC(CCC1N)Br.ClInChIKey: PECMAHZPJIYUNR-UHFFFAOYSA-NInChI: InChI=1S/C6H12BrN.ClH/c7-5-1-3-6(8)4-2-5;/h5-6H,1-4,8H2;1H
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Disperse Blue 106
Cas Number: 12223-01-7Formula: C14H17N5O3SMolecular weight: 335.38Synonyms: C.I. Disperse Blue 106 | 2-(Ethyl(3-methyl-4-((5-nitrothiazol-2-yl)diazenyl)phenyl)amino)ethanol | 6...SMILES: CCN(CCO)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])CInChIKey: UIHYHADQHHUIOF-UHFFFAOYSA-NInChI: InChI=1S/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3
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1-Bromo-4,4,4-trifluorobutane
Cas Number: 406-81-5Formula: CF3CH2CH2CH2BrMolecular weight: 191Synonyms: 1-Bromo-4,4,4-trifluorobutane|406-81-5|4-Bromo-1,1,1-trifluorobutane|4,4,4-Trifluoro-1-bromobutane|M...SMILES: C(CC(F)(F)F)CBrInChIKey: DBCAQXHNJOFNGC-UHFFFAOYSA-NInChI: InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
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2-PHENOXYETHYL P-TOLUENESULFONATE
Cas Number: 43224-81-3Formula: C15H16O4SMolecular weight: 292.356Synonyms: 2-phenoxyethyl 4-methylbenzenesulfonate|43224-81-3|2-phenoxyethyl 4-methylbenzene-1-sulfonate|2-phen...SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=CC=C2InChIKey: MSIGTXLXMVOOQD-UHFFFAOYSA-NInChI: InChI=1S/C15H16O4S/c1-13-7-9-15(10-8-13)20(16,17)19-12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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4-Iodo-2,3-dimethoxy-5-(trifluoromethyl)pyridine
Cas Number: 1261365-81-4Formula: C8H7F3INO2Molecular weight: 333Synonyms: 4-Iodo-2,3-dimethoxy-5-(trifluoromethyl)pyridine|1261365-81-4|DTXSID401223722|MFCD18374095|AKOS01585...SMILES: COC1=C(C(=CN=C1OC)C(F)(F)F)IInChIKey: ZFISGSRXCHTAGD-UHFFFAOYSA-NInChI: InChI=1S/C8H7F3INO2/c1-14-6-5(12)4(8(9,10)11)3-13-7(6)15-2/h3H,1-2H3
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4-Methyl-3-(tributylstannyl)pyridine
Cas Number: 1204580-81-3Formula: C18H33NSnMolecular weight: 382.17Synonyms: 4-Methyl-3-(tributylstannyl)pyridine|1204580-81-3|tributyl-(4-methylpyridin-3-yl)stannane|MFCD117070...SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=CN=C1)CInChIKey: YSTITYJVFYFDAW-UHFFFAOYSA-NInChI: InChI=1S/C6H6N.3C4H9.Sn/c1-6-2-4-7-5-3-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
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3-Morpholinobenzamide
Cas Number: 183557-81-5Formula: C11H14N2O2Molecular weight: 206.24Synonyms: 3-Morpholinobenzamide|183557-81-5|3-morpholin-4-ylbenzamide|Benzamide, 3-(4-morpholinyl)-|3-(Morphol...SMILES: C1COCCN1C2=CC=CC(=C2)C(=O)NInChIKey: ZWZRCLHHZXHALQ-UHFFFAOYSA-NInChI: InChI=1S/C11H14N2O2/c12-11(14)9-2-1-3-10(8-9)13-4-6-15-7-5-13/h1-3,8H,4-7H2,(H2,12,14)
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trans-4-Hydroxycyclohexanecarboxylic Acid
Cas Number: 3685-26-5Formula: C7H12O3Molecular weight: 144.17Synonyms: trans-4-hydroxycyclohexanecarboxylic acid|4-Hydroxycyclohexanecarboxylic acid|cis-4-Hydroxycyclohexa...SMILES: C1CC(CCC1C(=O)O)OInChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
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