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Search results for: '4949-44-4'
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calcium bis(2-hydroxy-4-(methylthio)butyrate)
Cas Number: 4857-44-7Formula: C10H18CaO6S2Molecular weight: 338.45Synonyms: 4857-44-7|Calcium 2-hydroxy-4-(methylthio)butanoate|2-Hydroxy-4-(methylthio)butyric acid calcium sal...SMILES: CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2]InChIKey: ABRVDWASZFDIEH-UHFFFAOYSA-LInChI: InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
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Varenicline, Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
Cas Number: 249296-44-4Formula: C13H13N3Molecular weight: 211.26Synonyms: Varenicline|249296-44-4|6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-|5,8,14-t...SMILES: C1C2CNCC1C3=CC4=NC=CN=C4C=C23InChIKey: JQSHBVHOMNKWFT-UHFFFAOYSA-NInChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
Cas Number: 30530-44-0Formula: C9H8FN5Molecular weight: 205.19Synonyms: 30530-44-0|2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine|6-(4-fluorophenyl)-1,3,5-triazine-2,4-diami...SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)FInChIKey: UPQUQQDAZPFXCH-UHFFFAOYSA-NInChI: InChI=1S/C9H8FN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
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6,7-Dimethoxyquinazoline-2,4-dione
Cas Number: 28888-44-0Formula: C10H10N2O4Molecular weight: 222.2Synonyms: 1,2-BIS(DIPHENYLPHOSPHINO)ETHANEMONOOXIDE | 6,7-Dimethoxyquinazoline-2,4-dione | CAS-28888-44-0 | BS...SMILES: COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OCInChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)
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3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol
Cas Number: 57371-44-5Formula: C17H20O3Molecular weight: 272.34Synonyms: 3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol|57371-44-5|3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-...SMILES: COC1=C(C=CC(=C1)CCCO)OCC2=CC=CC=C2InChIKey: VEJWDVSLFQNNAN-UHFFFAOYSA-NInChI: InChI=1S/C17H20O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
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2-Bromo-4-chloro-5-(trifluoromethyl)aniline
Cas Number: 193090-44-7Formula: C7H4BrClF3NMolecular weight: 274.47Synonyms: 2-bromo-4-chloro-5-(trifluoromethyl)aniline|193090-44-7|2-Bromo-4-chloro-5-(trifluoromethyl)benzenam...SMILES: C1=C(C(=CC(=C1N)Br)Cl)C(F)(F)FInChIKey: XVITUACFGUYVKU-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrClF3N/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H,13H2
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4',7-Dimethoxy-5-Hydroxyflavone
Cas Number: 5128-44-9Formula: C17H14O5Molecular weight: 298.29Synonyms: 5128-44-9|7,4'-Di-O-methylapigenin|Apigenin 7,4'-dimethyl ether|Apigenin dimethylether|Genkwanin 4'-...SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)OInChIKey: LZERJKGWTQYMBB-UHFFFAOYSA-NInChI: InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
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Diphenyl malonate
Cas Number: 1969-44-4Formula: 15H12O4Synonyms: diphenyl malonate|1969-44-4|Diphenyl Propanedioate|propanedioic acid diphenyl ester|MFCD00437604|Pro...SMILES: C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2InChIKey: HCWOVPZEAFLXPL-UHFFFAOYSA-NInChI: InChI=1S/C15H12O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h1-10H,11H2
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4-Ethylbiphenyl
Cas Number: 5707-44-8Formula: C6H5C6H4C2H5Molecular weight: 182.26Synonyms: 4-Ethylbiphenyl|5707-44-8|4-Ethyl-1,1'-biphenyl|1-Ethyl-4-phenylbenzene|p-Ethylbiphenyl|1,1'-Bipheny...SMILES: CCC1=CC=C(C=C1)C2=CC=CC=C2InChIKey: SRQOBNUBCLPPPH-UHFFFAOYSA-NInChI: InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3
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4-Propylphenol(3PO)
Cas Number: 645-56-7Formula: C9H12OMolecular weight: 136.19Synonyms: UNII-H27VG833JY | 4-propylphenole | FT-0619321 | NSC 65647 | Phenol, p-propyl-, | 4-PROPYLPHENOL | 4...SMILES: CCCC1=CC=C(C=C1)OInChIKey: KLSLBUSXWBJMEC-UHFFFAOYSA-NInChI: InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
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3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid
Cas Number: 1261909-44-7Formula: C16H13F2NO3Molecular weight: 305.3Synonyms: 1261909-44-7|4'-(Ethylcarbamoyl)-3',6-difluoro-[1,1'-biphenyl]-3-carboxylic acid|3-[4-(ETHYLCARBAMOY...SMILES: CCNC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)O)F)FInChIKey: ZBCMEMCAMPNWSE-UHFFFAOYSA-NInChI: InChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)
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2,6-Difluoro-3-methylbenzyl bromide
Cas Number: 261763-44-4Formula: C8H7BrF2Molecular weight: 221.05Synonyms: 2,6-Difluoro-3-methylbenzyl bromide|261763-44-4|2-(bromomethyl)-1,3-difluoro-4-methylbenzene|Benzene...SMILES: CC1=C(C(=C(C=C1)F)CBr)FInChIKey: IHFNXAURNLUMOH-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrF2/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
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1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one
Cas Number: 1190865-44-1Formula: C8H2Cl2F4OMolecular weight: 261.00Synonyms: 1190865-44-1|1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone|1-(3,5-Dichloro-4-fluoro-phenyl...SMILES: C1=C(C=C(C(=C1Cl)F)Cl)C(=O)C(F)(F)FInChIKey: NSWPERXXSPCRCT-UHFFFAOYSA-NInChI: InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
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N-(4-Bromobenzyl)-t-butylamine, HCl
Cas Number: 1209906-44-4Formula: C11H17BrClNMolecular weight: 278.6Synonyms: 1209906-44-4|N-(4-Bromobenzyl)-2-methylpropan-2-amine hydrochloride|N-(4-BROMOBENZYL)-T-BUTYLAMINE, ...SMILES: CC(C)(C)NCC1=CC=C(C=C1)Br.ClInChIKey: ZTCVFIGUTHIZMA-UHFFFAOYSA-NInChI: InChI=1S/C11H16BrN.ClH/c1-11(2,3)13-8-9-4-6-10(12)7-5-9;/h4-7,13H,8H2,1-3H3;1H
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6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
Cas Number: 1190311-44-4Formula: C8H5F3N2Molecular weight: 186.13Synonyms: FS-3506 | 1190311-44-4 | 6-(Trifluoromethyl)-4-azaindole | A804158 | SMLPVLYYZMPXBV-UHFFFAOYSA-N | E...SMILES: C1=CNC2=C1N=CC(=C2)C(F)(F)FInChIKey: SMLPVLYYZMPXBV-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3N2/c9-8(10,11)5-3-7-6(13-4-5)1-2-12-7/h1-4,12H
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4-Chloro-2-methoxypyridine
Cas Number: 72141-44-7Formula: C6H6ClNOMolecular weight: 143.6Synonyms: 4-Chloro-2-methoxypyridine|72141-44-7|4-CHLORO-2-METHOXY-PYRIDINE|2-Methoxy-4-Chloro-Pyridine|MFCD06...SMILES: COC1=NC=CC(=C1)ClInChIKey: WTDUQQXDOAPXAQ-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
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Triflumuron solution in Methanol
Cas Number: 64628-44-0 EC Number: 264-980-3Formula: C15H10ClF3N2O3Molecular weight: 358.7Synonyms: Triflumuron|64628-44-0|Trifluron|Triflumuron [ISO]|SIR 8514|2-Chloro-N-(((4-(trifluoromethoxy)phenyl...SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)ClInChIKey: XAIPTRIXGHTTNT-UHFFFAOYSA-NInChI: InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
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Ethyl 4-hydroxy-2-methylaminothiazole-5-carboxylate
Cas Number: 914347-44-7Formula: C7H10N2O3SMolecular weight: 202.2Synonyms: 914347-44-7|Ethyl 4-hydroxy-2-methylaminothiazole-5-carboxylate|ethyl 4-hydroxy-2-(methylamino)thiaz...SMILES: CCOC(=O)C1=C(N=C(S1)NC)OInChIKey: UQLFUKTXOACPCU-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O3S/c1-3-12-6(11)4-5(10)9-7(8-2)13-4/h10H,3H2,1-2H3,(H,8,9)
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trans-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclobutanol
Synonyms: 1408074-89-4|1408075-44-4|1089709-08-9|cis-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]cyclobutanol|tra...SMILES: CC(C)(C)[Si](C)(C)OC1CC(C1)OInChIKey: ILGIKHCMCDNBSK-UHFFFAOYSA-NInChI: InChI=1S/C10H22O2Si/c1-10(2,3)13(4,5)12-9-6-8(11)7-9/h8-9,11H,6-7H2,1-5H3
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4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile
Cas Number: 214360-44-8Formula: C12H14BNO2Molecular weight: 215.1Synonyms: 214360-44-8|4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile|4-Cyanophenylboronic acid, neopenty...SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C#NInChIKey: BAIHMVOJDPTWSS-UHFFFAOYSA-NInChI: InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-10(7-14)4-6-11/h3-6H,8-9H2,1-2H3
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Methyl 4-methylthiazole-5-carboxylate
Cas Number: 81569-44-0Formula: C6H7NO2SMolecular weight: 157.19Synonyms: J-522382 | DTXSID501002058 | methyl 4-methyl-1,3-thiazole-5-carboxylate | MFCD00129998 | AN-970/4092...SMILES: CC1=C(SC=N1)C(=O)OCInChIKey: RRCLLMUIJYXSGZ-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)10-3-7-4/h3H,1-2H3
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Sodium dodecylbenzenesulfonate solution
Cas Number: 25155-30-0 EC Number: 246-680-4Formula: C18H29NaO3SMolecular weight: 348.48Synonyms: 69669-44-9|sodium;4-dodecan-3-ylbenzenesulfonate|2212-50-2|NCGC00164362-01|DSSTox_CID_5219|DSSTox_RI...
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Pitolisant hydrochloride, Histamine H3 receptor inverse agonist
Cas Number: 903576-44-3Formula: C17H26ClNO.HClMolecular weight: 332.31Synonyms: BF-2649 HYDROCHLORIDE | Ciproxidine | PS-6646 | SDCCGMLS-0065852.P001 | AMY23423 | DTXSID50238098 | ...SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.ClInChIKey: XLFKECRRMPOAQS-UHFFFAOYSA-NInChI: InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
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