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Search results for: '81-50-5'
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B355252
Cas Number: 1261576-81-1Formula: C25H24ClN3O3S2Molecular weight: 514.06Synonyms: 1261576-81-1|B355252|4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sul...SMILES: C1CN(CCN1)C2=CC(=CC=C2)OC3=C(C=C(S3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)ClInChIKey: YAAVQYDOVJQDFZ-UHFFFAOYSA-NInChI: InChI=1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-14,17H2
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methyl (3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate
Cas Number: 1629681-81-7Formula: C15H19NO5Molecular weight: 293.31Synonyms: 1629681-81-7 | methyl (3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate | SCHEMBL...SMILES: COC1=CC(=C(C=C1)CN2CC(CC2=O)C(=O)OC)OCInChIKey: AFTYPDGGRQCPRG-LLVKDONJSA-NInChI: InChI=1S/C15H19NO5/c1-19-12-5-4-10(13(7-12)20-2)8-16-9-11(6-14(16)17)15(18)21-3/h4-5,7,11H,6,8-9H2,1-3H3/t11-/m1/s1
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3,5-Pyridinedicarboxylic acid
Formula: C7H5NO4Molecular weight: 167.12Synonyms: Pyridine-3,5-dicarboxylic acid|3,5-Pyridinedicarboxylic acid|499-81-0|DINICOTINIC ACID|5-Carboxynico...SMILES: C1=C(C=NC=C1C(=O)O)C(=O)OInChIKey: MPFLRYZEEAQMLQ-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)
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Glycerol in water for HPLC verification
Formula: C3H8O3Molecular weight: 92.09Synonyms: glycerol|glycerin|56-81-5|Glycerine|PROPANE-1,2,3-TRIOL|1,2,3-Propanetriol|Trihydroxypropane|Glyceri...SMILES: OCC(O)COInChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-NInChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
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1,6–Hexanediammonium dibromide
Cas Number: 24731-81-5Formula: C6H18N2Br2Molecular weight: 278.03Synonyms: Hexamethylenediammonium dibromide|24731-81-5|Hexane-1,6-diammonium bromide|6-azaniumylhexylazanium;d...SMILES: C(CCC[NH3+])CC[NH3+].[Br-].[Br-]InChIKey: XSYPBULLQGGYPJ-UHFFFAOYSA-NInChI: InChI=1S/C6H16N2.2BrH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H
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N-(5-Fluoro-3-formylpyridin-2-yl)pivalamide
Cas Number: 1188433-81-9Formula: C11H13FN2O2Molecular weight: 224.2Synonyms: N-(5-Fluoro-3-formylpyridin-2-yl)pivalamide|1188433-81-9|N-(5-fluoro-3-formylpyridin-2-yl)-2,2-dimet...SMILES: CC(C)(C)C(=O)NC1=C(C=C(C=N1)F)C=OInChIKey: DCHHGGYJXRRFGW-UHFFFAOYSA-NInChI: InChI=1S/C11H13FN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16)
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pirbuterol
Cas Number: 38677-81-5Synonyms: 38677-81-5 (free base) | 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol | PIRB...SMILES: OCc1nc(ccc1O)C(CNC(C)(C)C)OInChIKey: VQDBNKDJNJQRDG-UHFFFAOYSA-NInChI: InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
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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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TrkA-IN-1
Cas Number: 1680179-43-4Formula: C25H20N4OMolecular weight: 392.45SMILES: CC1=NC=C(C(=N1)C2=CC=CC=C2)NC(=O)NC3C4=CC=CC=C4C5=CC=CC=C35InChIKey: PKOROKYRNIDSPX-UHFFFAOYSA-NInChI: InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
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Hydroquinidine-2,5-diphenyl-4,6-pyri-midinediyl diether
Cas Number: 149725-81-5Formula: C56H60N6O4Molecular weight: 881.11Synonyms: (DHQD)2Pyr|149725-81-5|(1S,1'S,3R,3'R,4S,4'S,6R,6'R)-6,6'-((1S,1'S)-((2,5-Diphenylpyrimidine-4,6-diy...SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1InChIKey: SWKRDCRSJPRVNF-DOGDSVMGSA-NInChI: See more
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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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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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Scandium
Formula: ScMolecular weight: 44.96Synonyms: escandio | Scandium Standard: Sc @ 10000 microg/mL in 5% HNO3 | Q713 | Scandium Nanorods | SCANDIUM,...SMILES: [Sc]InChIKey: SIXSYDAISGFNSX-UHFFFAOYSA-NInChI: InChI=1S/Sc
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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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