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Search results for: '818-81-5'
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α-Lactose monohydrate
Cas Number: 5989-81-1Formula: C12H22O11 · H2OMolecular weight: 360.31Synonyms: Lactose monohydrate|5989-81-1|alpha-Lactose monohydrate|D-Lactose monohydrate|alpha-D-Lactose monohy...SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.OInChIKey: WSVLPVUVIUVCRA-KPKNDVKVSA-NInChI: InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+;/m1./s1
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2-Methyl-5-nitro-3-pyridinecarboxylic acid
Cas Number: 59290-81-2Formula: C7H6N2O4Molecular weight: 182.13Synonyms: 59290-81-2|2-methyl-5-nitronicotinic acid|2-Methyl-5-nitro-3-pyridinecarboxylic acid|2-methyl-5-nitr...SMILES: CC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)OInChIKey: QGKUVJPQLXSHQZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6N2O4/c1-4-6(7(10)11)2-5(3-8-4)9(12)13/h2-3H,1H3,(H,10,11)
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Carbazochrome
Cas Number: 69-81-8Formula: C10H12N4O3Molecular weight: 236.23Synonyms: carbazochrome|69-81-8|Adrenochrome semicarbazone|Adrenostazin|Adedolon|Adchnon|Adrenochrome monosemi...SMILES: CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)OInChIKey: SSCSSDNTQJGTJT-UHFFFAOYSA-NInChI: InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,15-16H,4H2,1H3,(H2,11,17)
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tert-butyl 2-(trifluoromethylsulfonyloxy)spiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,3'-pyrrolidine]-1'-carboxylate
Cas Number: 2640496-81-5Formula: C15H20N3O5F3SMolecular weight: 411.4Synonyms: 2640496-81-5 | tert-butyl 2-(trifluoromethylsulfonyloxy)spiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,3'...SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CCN3C2=CC(=N3)OS(=O)(=O)C(F)(F)FInChIKey: XNKWQZMOJBALTJ-UHFFFAOYSA-NInChI: InChI=1S/C15H20F3N3O5S/c1-13(2,3)25-12(22)20-6-4-14(9-20)5-7-21-10(14)8-11(19-21)26-27(23,24)15(16,17)18/h8H,4-7,9H2,1-3H3
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3-fluoro-1H-pyrazole
Cas Number: 14521-81-4Formula: C3H3FN2Molecular weight: 86.07Synonyms: 3-Fluoro-1H-pyrazole|14521-81-4|5-fluoro-1H-pyrazole|1H-Pyrazole, 3-fluoro-|73311-17-8|MFCD18205877|...SMILES: C1=C(NN=C1)FInChIKey: WNDHCIJGEKNYNF-UHFFFAOYSA-NInChI: InChI=1S/C3H3FN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
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5-Bromo-6-chloropyridin-2-ol
Cas Number: 1227603-81-7Formula: C5H3BrClNOMolecular weight: 208.4Synonyms: 5-BROMO-6-CHLOROPYRIDIN-2-OL|1227603-81-7|5-bromo-6-chloro-1H-pyridin-2-one|5-Bromo-6-chloro-2-hydro...SMILES: C1=CC(=O)NC(=C1Br)ClInChIKey: ZBUYQOPMGPFMJU-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrClNO/c6-3-1-2-4(9)8-5(3)7/h1-2H,(H,8,9)
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5-(3-Bromophenyl)-1H-pyrazol-3-amine
Cas Number: 149246-81-1Formula: C9H8BrN3Molecular weight: 238.1Synonyms: 149246-81-1|3-(3-Bromophenyl)-1H-pyrazol-5-amine|5-(3-bromophenyl)-1H-pyrazol-3-amine|5-(3-BROMO-PHE...SMILES: C1=CC(=CC(=C1)Br)C2=CC(=NN2)NInChIKey: NQFSHBKZGKSELV-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
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Dabigatran etexilate mesylate
Cas Number: 872728-81-9Formula: C35H45N7O8SMolecular weight: 723.86Synonyms: Dabigatran etexilate mesylate|872728-81-9|Dabigatran etexilate methanesulfonate|ethyl 3-[[2-[[4-[(Z)...SMILES: CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N.CS(=O)(=O)OInChIKey: XETBXHPXHHOLOE-UHFFFAOYSA-NInChI: See more
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1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-1H-pyrazol-3-amine
Cas Number: 2227204-81-9Formula: C12H14N4O3Molecular weight: 262.27Synonyms: 2227204-81-9 | 1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-1H-pyrazol-3-amine | 1-(4-Methoxybenzyl)...SMILES: CC1=C(C(=NN1CC2=CC=C(C=C2)OC)N)[N+](=O)[O-]InChIKey: UHMQEPLHADLQMD-UHFFFAOYSA-NInChI: InChI=1S/C12H14N4O3/c1-8-11(16(17)18)12(13)14-15(8)7-9-3-5-10(19-2)6-4-9/h3-6H,7H2,1-2H3,(H2,13,14)
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cis-5-amino-2-boc-hexahydro-cyclopenta[c]pyrrole
Cas Number: 863600-81-1Formula: C12H22N2O2Molecular weight: 226.32Synonyms: 863600-81-1|cis-5-amino-2-boc-hexahydro-cyclopenta[c]pyrrole|1221439-83-3|1417317-03-3|cis-tert-Buty...SMILES: CC(C)(C)OC(=O)N1CC2CC(CC2C1)NInChIKey: DPYIUHWPQGIBSS-ULKQDVFKSA-NInChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?
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3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine
Cas Number: 1065074-81-8Formula: C9H10BrN3O2Molecular weight: 272.1Synonyms: 3-Bromo-5-nitro-2-(pyrrolidin-1-yl)pyridine|1065074-81-8|3-bromo-5-nitro-2-pyrrolidin-1-ylpyridine|3...SMILES: C1CCN(C1)C2=C(C=C(C=N2)[N+](=O)[O-])BrInChIKey: YZDNWQJSPBAYQY-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrN3O2/c10-8-5-7(13(14)15)6-11-9(8)12-3-1-2-4-12/h5-6H,1-4H2
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3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
Cas Number: 859155-81-0Formula: C11H10N2O3Molecular weight: 218.21Synonyms: 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic Acid|859155-81-0|3-(5-Ethyl-[1,2,4]Oxadiazol-3-Yl)-Benzoic A...SMILES: CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OInChIKey: ZUEUZEBBRRWMHB-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-4-3-5-8(6-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
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GSK1795091, Agonist of TLR4
Synonyms: 1233589-81-5 | compound 4 [PMID: 18835160] | HY-111792 | GTPL11150 | GSK'091 | (2S)-2-[[(3R)-3-decox...SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCCInChIKey: ICLAYQQKWJGHBV-XJZMHMBSSA-NInChI: See more
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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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(2-Chloroethyl)trimethylammonium chloride
Formula: C5H13Cl2NMolecular weight: 158.07Synonyms: Chlormequat chloride|999-81-5|2-Chloro-N,N,N-trimethylethanaminium chloride|Chlorocholine chloride|(...SMILES: C[N+](C)(C)CCCl.[Cl-]InChIKey: UHZZMRAGKVHANO-UHFFFAOYSA-MInChI: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
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Imidazo[2,1-b]thiazole-5-carboxylic acid
Cas Number: 17782-81-9Formula: C6H4N2O2SMolecular weight: 168.2Synonyms: Imidazo[2,1-b]thiazole-5-carboxylic acid|17782-81-9|imidazo[2,1-b][1,3]thiazole-5-carboxylic acid|SC...SMILES: C1=CSC2=NC=C(N21)C(=O)OInChIKey: ZGIABSKPSCMXFD-UHFFFAOYSA-NInChI: InChI=1S/C6H4N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h1-3H,(H,9,10)
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4-Bromo-2-chloro-5-fluorobenzoic acid
Cas Number: 177480-81-8Formula: C7H3BrClFO2Molecular weight: 253.45Synonyms: 4-BROMO-2-CHLORO-5-FLUOROBENZOIC ACID|177480-81-8|4-bromo-2-chloro-5-fluoro-benzoic Acid|Benzoic aci...SMILES: C1=C(C(=CC(=C1F)Br)Cl)C(=O)OInChIKey: TZFKKLGCVKORLS-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClFO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
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1-Butyl-3-methylimidazolium methanesulfonate
Cas Number: 342789-81-5Formula: C9H18N2O3SMolecular weight: 234.32Synonyms: Q-102680 | MFCD06798173 | DTXCID2027888 | FT-0761019 | 1-Butyl-3-methyl-1H-imidazolium methanesulfon...SMILES: CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]InChIKey: PUHVBRXUKOGSBC-UHFFFAOYSA-MInChI: InChI=1S/C8H15N2.CH4O3S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
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1-(3-Bromo-5-chlorophenyl)ethanone
Cas Number: 154257-85-9Formula: C8H6BrClOMolecular weight: 233.49Synonyms: 1-(3-Bromo-5-chlorophenyl)ethanone|154257-85-9|3'-BROMO-5'-CHLOROACETOPHENONE|1-(3-BROMO-5-CHLOROPHE...SMILES: CC(=O)C1=CC(=CC(=C1)Br)ClInChIKey: IEWFDTXICLHPTE-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
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1-(4-Fluorophenyl)-5-methoxycarbonyl-2(1H)-pyridinone
Cas Number: 929000-81-7Formula: C13H10FNO3Molecular weight: 247.2Synonyms: 929000-81-7|Methyl 1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate|1-(4-Fluorophenyl)-5-m...SMILES: COC(=O)C1=CN(C(=O)C=C1)C2=CC=C(C=C2)FInChIKey: MCRSIKGFABUVME-UHFFFAOYSA-NInChI: InChI=1S/C13H10FNO3/c1-18-13(17)9-2-7-12(16)15(8-9)11-5-3-10(14)4-6-11/h2-8H,1H3
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1-(4-Bromo-3-chlorophenyl)piperidine
Cas Number: 1311197-81-5Formula: C11H13BrClNMolecular weight: 274.6Synonyms: 1-(4-Bromo-3-chlorophenyl)piperidine|1311197-81-5|1-Bromo-2-chloro-4-piperidinobenzene|SCHEMBL102770...SMILES: C1CCN(CC1)C2=CC(=C(C=C2)Br)ClInChIKey: BYODOHYKGIBOIL-UHFFFAOYSA-NInChI: InChI=1S/C11H13BrClN/c12-10-5-4-9(8-11(10)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
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2-(4-Acetylphenoxy)-N-o-tolylacetamide
Cas Number: 17172-81-5Formula: C17H17NO3Molecular weight: 283.32Synonyms: 17172-81-5|2-(4-acetylphenoxy)-N-(2-methylphenyl)acetamide|2-(4-Acetylphenoxy)-N-(o-tolyl)acetamide|...SMILES: CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C(=O)CInChIKey: VJPRCFLNXLDXPZ-UHFFFAOYSA-NInChI: InChI=1S/C17H17NO3/c1-12-5-3-4-6-16(12)18-17(20)11-21-15-9-7-14(8-10-15)13(2)19/h3-10H,11H2,1-2H3,(H,18,20)
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2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine
Cas Number: 543712-81-8Formula: C8H7Cl2N5Molecular weight: 244.08Synonyms: 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine|543712-81-8|2,5-Dichloro-N-(5-methyl-1H-p...SMILES: CC1=CC(=NN1)NC2=NC(=NC=C2Cl)ClInChIKey: QXEYORGOYODCOD-UHFFFAOYSA-NInChI: InChI=1S/C8H7Cl2N5/c1-4-2-6(15-14-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
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GSK484
Cas Number: 1652591-81-5Formula: C27H32ClN5O3Molecular weight: 510.03Synonyms: 1652591-81-5|GSK484|GSK484 HCl|((3S,4R)-3-Amino-4-hydroxypiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H...SMILES: CN1C2=C(C=C(C=C2OC)C(=O)N3CCC(C(C3)N)O)N=C1C4=CC5=CC=CC=C5N4CC6CC6.ClInChIKey: MULKOGJHUZTANI-ADMBKAPUSA-NInChI: See more
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