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Search results for: '203-380-8'
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Isoamyl butyrate
Formula: C9H18O2Molecular weight: 158.24Synonyms: iso-Amyl n-butyrate | Isoamyl n-Butyrate | B0760 | LMFA07010574 | CCRIS 6556 | E75851 | FT-0627328 |...SMILES: CCCC(=O)OCCC(C)CInChIKey: PQLMXFQTAMDXIZ-UHFFFAOYSA-NInChI: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
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4H-Pyran-4-one
Cas Number: 108-97-4Formula: C5H4O2Molecular weight: 96.09Synonyms: DTXSID20148352 | FT-0626622 | J-002217 | A-Pyrone | Q3411301 | 4H-Pyran-4-one, >=98% | MFCD00006576 ...SMILES: C1=COC=CC1=OInChIKey: CVQUWLDCFXOXEN-UHFFFAOYSA-NInChI: InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H
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2,6-Dimethylpyrazine
Cas Number: 108-50-9Formula: C6H8N2Molecular weight: 108.14Synonyms: 2,6-Dimethyl-1,4-diazine | N77Q72C9I3 | EINECS 203-589-4 | InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1...SMILES: CC1=CN=CC(=N1)CInChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
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N,N'-Diethylethylenediamine
Cas Number: 111-74-0Formula: C6H16N2Molecular weight: 116.21Synonyms: N,N'-diethylethane-1,2-diamine dihydrobromide | 3,6-diazaoctane | SCHEMBL80292 | EINECS 203-902-4 | ...SMILES: CCNCCNCCInChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-NInChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
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1,2-Ethanedisulfonic acid hydrate
Cas Number: 110-04-3Formula: C2H6O6S2•XH2OMolecular weight: 190.20Synonyms: ?1,2-Ethanedisulfonic acid | 1,2-Ethanedisulphonic acid | InChI=1/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-...SMILES: C(CS(=O)(=O)O)S(=O)(=O)OInChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-NInChI: InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
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p-Anisidine
Cas Number: 104-94-9Formula: C7H9NOMolecular weight: 123.15Synonyms: InChI=1/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H | STR00220 | para-methoxy aniline | p-Methoxyanilin...SMILES: COC1=CC=C(C=C1)NInChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
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Tucatinib hemiethanolate
Cas Number: 1429755-56-5(DMSO)Formula: C26H24N8O2.1/2C2H6OMolecular weight: 503.57SMILES: CC1=CC(NC2=C3C=C(NC4=NC(C)(C)CO4)C=CC3=NC=N2)=CC=C1OC5=CC6=NC=NN6C=C5.CCO.[1/2]
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Tucatinib hemiethanolate
Cas Number: 1429755-56-5Formula: C26H24N8O2.1/2C2H6OMolecular weight: 503.57SMILES: CCO.CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5.CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5
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TAK-683 acetate
Formula: C66H87N17O15Molecular weight: 1358.5
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1-FLUORODECANE
Cas Number: 334-56-5Formula: C10H21FMolecular weight: 160.277Synonyms: 1-FLUORODECANE|334-56-5|Decane, 1-fluoro-|Decyl fluoride|1-fluoro-decane|n-Decyl fluoride|BRN 173522...SMILES: CCCCCCCCCCFInChIKey: LHLRHWJTTUCDQA-UHFFFAOYSA-NInChI: InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
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2,4-Dimethylbenzylamine
Cas Number: 94-98-4Formula: C9H13NMolecular weight: 135.21Synonyms: 2,4-Dimethylbenzylamine|94-98-4|(2,4-Dimethylphenyl)methanamine|Benzenemethanamine, 2,4-dimethyl-|2,...SMILES: CC1=CC(=C(C=C1)CN)CInChIKey: GBSUVYGVEQDZPG-UHFFFAOYSA-NInChI: InChI=1S/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6,10H2,1-2H3
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2,2-Difluoropentanedioic acid
Cas Number: 380-86-9Formula: C5H6F2O4Molecular weight: 168.1Synonyms: 2,2-Difluoropentanedioic Acid|380-86-9|2,2-difluoroglutaric acid|2,2-DifluoropentanedioicAcid|2,2-di...SMILES: C(CC(C(=O)O)(F)F)C(=O)OInChIKey: PIVAHSCRTJPWJU-UHFFFAOYSA-NInChI: InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
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Glycolic acid ethoxylate 4-tert-butylphenyl ether
Cas Number: 104909-82-2Formula: C14H24O6Molecular weight: 288.34Synonyms: Glycolic acid ethoxylate 4-tert-butylphenyl ether, average Mn ~380 | 4-Tert-butylphenol;ethane-1,2-d...SMILES: CC(C)(C)C1=CC=C(C=C1)O.C(CO)O.C(C(=O)O)OInChIKey: OAGSUPHYBVNDLY-UHFFFAOYSA-NInChI: InChI=1S/C10H14O.C2H4O3.C2H6O2/c1-10(2,3)8-4-6-9(11)7-5-8;3-1-2(4)5;3-1-2-4/h4-7,11H,1-3H3;3H,1H2,(H,4,5);3-4H,1-2H2
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PMCDG dipivoxil, DNA polymerase/reverse transcriptase inhibitor
Cas Number: 441785-26-8Formula: C22H34N5O8PMolecular weight: 527.5Synonyms: PMCDG dipivoxil | SCHEMBL4270816 | UNII-S9I9P4J8IU | 9-(1-(PHOSPHONOMETHOXYCYCLOPROPYL)METHYL)-6-DEO...SMILES: CC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)CInChIKey: JLKJXDOWBVVABZ-UHFFFAOYSA-NInChI: InChI=1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26)
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2-(2-Naphthyl)indole
Cas Number: 23746-81-8Formula: C18H13NMolecular weight: 243.31Synonyms: 2-(2-naphthyl)-1h-indole | 2-(2-Indolyl)naphthalene | T72128 | SCHEMBL4109053 | 2-naphthalen-2-yl-1H...SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4N3InChIKey: CACDYUNTCMPDMI-UHFFFAOYSA-NInChI: InChI=1S/C18H13N/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12,19H
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Calcium phenylpyruvate
Cas Number: 54865-40-6Formula: C18H14CaO6Molecular weight: 366.4Synonyms: Phenylpyruvic acid calcium salt|Calcium phenylpyruvate|54865-40-6|Bis(benzenepyruvato)calcium|EINECS...SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]InChIKey: BKMMOJVSLBZNTK-UHFFFAOYSA-LInChI: InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2
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2-Bromophenyl acetate
Formula: C8H7BrO2Molecular weight: 215.04SMILES: CC(=O)OC1=CC=CC=C1BrInChIKey: BEHBHYYPTOHUHX-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
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Bis(2-ethylhexyl) Isophthalate
Cas Number: 137-89-3Formula: C24H38O4Molecular weight: 390.56Synonyms: Di-2-ethylhexyl isophthalate | Isophthalic acid, bis(2-ethylhexyl) ester | Dioctyl isophthalate | BI...SMILES: CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCCInChIKey: WXZOXVVKILCOPG-UHFFFAOYSA-NInChI: InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
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Ethyl 1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Cas Number: 98349-25-8Formula: C15H13F2NO3Molecular weight: 293.27Synonyms: ethyl 1-cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxo-quinoline-3-carboxylate | ethyl 1-cyclopropyl-6,7...SMILES: CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3InChIKey: QYGNYHKBMNUIJN-UHFFFAOYSA-NInChI: InChI=1S/C15H13F2NO3/c1-2-21-15(20)10-7-18(8-3-4-8)13-6-12(17)11(16)5-9(13)14(10)19/h5-8H,2-4H2,1H3
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2-Amino-5-Fluoropyridin-3-Ol
Cas Number: 1003711-04-3 EC Number: 822-380-4SMILES: C1=C(C=NC(=C1O)N)FInChIKey: QEDZENLHGZUFBK-UHFFFAOYSA-NInChI: InChI=1S/C5H5FN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
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XY101
Cas Number: 2349368-16-5Formula: C25H20F7NO4SMolecular weight: 563.48SMILES: CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)FInChIKey: AUIAOCHKUNGZHV-UHFFFAOYSA-NInChI: InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
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KRP 203-phosphate, Agonist of S1P 1 receptor;Agonist of S1P 4 receptor
SMILES: OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)NInChIKey: BZVUYJGCYLMFGX-UHFFFAOYSA-NInChI: InChI=1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29)
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