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Chemical synthesis
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MenadioneCas Number: 58-27-5 EC Number: 200-372-6Formula: C11H8O2 Molecular Weight: 172.18IUPAC Name: 2-methylnaphthalene-1,4-dioneSMILES: CC1=CC(=O)C2=CC=CC=C2C1=OInChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-NInChI: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3Synonyms: Juva-K | Kareon | MENADIONE [MART.] | 2-Methyl-1,4-naftochinon | Menadione (Vitamin K3) 10 microg/mL in Acetonitrile ...
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IsatinCas Number: 91-56-5 EC Number: 202-077-8Formula: C8H5NO2 Molecular Weight: 147.13IUPAC Name: 1H-indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2InChIKey: JXDYKVIHCLTXOP-UHFFFAOYSA-NInChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)Synonyms: NSC 9262 | 3-Indolinedione | 5-21-10-00221 (Beilstein Handbook Reference) | CHEBI:27539 | Isotin | 2,3-Indolinedione ...
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ChalconeCas Number: 94-41-7 EC Number: 202-330-2Formula: C15H12O Molecular Weight: 208.26IUPAC Name: (E)-1,3-diphenylprop-2-en-1-oneSMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-NInChI: InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+Synonyms: (2E)-1,3-Diphenyl-2-propen-1-one | (E)-Benzylideneacetophenone | .beta.-Phenylacrylophenone | benzylidenacetophenone ...
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Chromone-3-carboxylicacidCas Number: 39079-62-4Formula: C10H6O4 Molecular Weight: 190.15IUPAC Name: 4-oxochromene-3-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)OInChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-NInChI: InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)Synonyms: 4-oxo-4H-chromene-3-carboxylic acid | RF 01275 | PD182299 | SCHEMBL1253672 | MFCD00017338 | Chromone-3-carboxylic aci...
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Saccharin, Agonist of TAS2R31;Agonist of TAS2R43Cas Number: 81-07-2 EC Number: 201-321-0, 228-971-8 Compound CID: 5143Formula: C7H5NO3S Molecular Weight: 183.18IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-oneSMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OInChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)Synonyms: AI3-38107 | 1,1-Dioxide-1,2-benzisothiazolin-3-one | HSDB 669 | 1,2-Dihydro-2-ketobenzisosulphonazole | Benzosulfinid...
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PyrogallicCas Number: 87-66-1 EC Number: 201-762-9Formula: C6H6O3 Molecular Weight: 126.11IUPAC Name: benzene-1,2,3-triolSMILES: C1=CC(=C(C(=C1)O)O)OInChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-NInChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9HSynonyms: 1,2,3-Trihydroxybenzen (CZECH) | pyrogallic acid | pyrogallol | AB-131/40221933 | DTXCID905983 | PYROGALLOL [MART.] |...
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SulfamideFormula: (NH2)2SO2 Molecular Weight: 96.11IUPAC Name: sulfamideSMILES: NS(=O)(=O)NInChIKey: NVBFHJWHLNUMCV-UHFFFAOYSA-NInChI: InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)Synonyms: BB 0260582 | sulphamide | AKOS000201755 | MFCD00011606 | FT-0601025 | Imidosulfamic acid | Sulfuricdiamide | Sulfamid...
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trans,trans-1,4-Diphenyl-1,3-butadieneCas Number: 886-65-7 Compound CID: 641683Formula: C16H14 Molecular Weight: 206.29IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzeneSMILES: C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2InChIKey: JFLKFZNIIQFQBS-FNCQTZNRSA-NInChI: InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+Synonyms: 1,3-BUTADIENE, 1,4-DIPHENYL-, TRANS-TRANS- | A,A-Bistyryl | DTXSID3022459 | STR04475 | (1E,3E)-1,4-Diphenyl-1,3-butad...
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4'-HydroxychalconeCas Number: 2657-25-2Formula: C15H12O2 Molecular Weight: 224.26IUPAC Name: (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-oneSMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OInChIKey: UAHGNXFYLAJDIN-IZZDOVSWSA-NInChI: InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+Synonyms: (E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | MFCD00016484 | 2-Propen-1-one, 1-(4-hydroxyphenyl)-3-phenyl- | BIDD:ER0...
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4-Sulfamylbenzoic acidFormula: C7H7NO4S Molecular Weight: 201.2IUPAC Name: 4-sulfamoylbenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)NInChIKey: UCAGLBKTLXCODC-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)Synonyms: Tox21_110021 | Carzenidum [INN-Latin] | Maybridge1_002385 | Z53021532 | aromatic/heteroaromatic sulfonamide 23 | JMC5...
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4-(2-Aminoethyl)benzenesulfonamideCas Number: 35303-76-5 EC Number: 252-501-0Formula: C8H12N2O2S Molecular Weight: 200.26IUPAC Name: 4-(2-aminoethyl)benzenesulfonamideSMILES: C1=CC(=CC=C1CCN)S(=O)(=O)NInChIKey: FXNSVEQMUYPYJS-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)Synonyms: 2-(4-sulfamoylphenyl)ethylamine | 2-(4-sulfamoyl-phenyl)-ethyl-amine | 4-(2-amino ethyl)benzene sulfonamide | 4-(2-Am...
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4'-BenzyloxyacetophenoneCas Number: 54696-05-8Formula: C15H14O2 Molecular Weight: 226.28IUPAC Name: 1-(4-phenylmethoxyphenyl)ethanoneSMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2InChIKey: MKYMYZJJFMPDOA-UHFFFAOYSA-NInChI: InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3Synonyms: B3365 | STK728880 | AM81188 | STR06633 | 2-PHENYL-QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE | NSC226144 | SCHEMBL42302 | 4 ...
