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Heterocyclic Building Blocks
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7-HydroxycoumarinCas Number: 93-35-6 EC Number: 202-240-3Formula: C9H6O3 Molecular Weight: 162.14IUPAC Name: 7-hydroxychromen-2-oneSMILES: C1=CC(=CC2=C1C=CC(=O)O2)OInChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-NInChI: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10HSynonyms: CCG-39436 | Dichrin A | FT-0621430 | MEGxp0_000814 | NCI60_001646 | SDCCGMLS-0066941.P001 | UMBELLIFERONE [MI] | Z571...
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SaccharinCas 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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JYL1421, Channel blocker of TRPV1Cas Number: 401907-26-4Formula: C20H26FN3O2S2 Molecular Weight: 423.57IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thioureaSMILES: CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)FInChIKey: DUHBVFMCIJLUJX-UHFFFAOYSA-NInChI: InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)Synonyms: AKOS037643424 | GTPL4230 | A900411 | Y6TH2I6W99 | N-[4-[[[[[[4-(1,1-dimethylethyl)phenyl]methyl]amino]thioxomethyl]am...
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Sodium pyrrolidinedithiocarbamateFormula: C5H8NNaS2 Molecular Weight: 169.24IUPAC Name: sodium;pyrrolidine-1-carbodithioateSMILES: C1CCN(C1)C(=S)[S-].[Na+]InChIKey: KAPVVZCIKRASLC-UHFFFAOYSA-MInChI: InChI=1S/C5H9NS2.Na/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1Synonyms: Sodium pyrrolidine-1-carbodithioate | AKOS015955494 | W-104035 | 1-Pyrrolidinecarbodithioic Acid Sodium Salt | sodium...
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SaccharinCas 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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6-HydroxycoumarinCas Number: 6093-68-1Formula: C9H6O3 Molecular Weight: 162.14IUPAC Name: 6-hydroxychromen-2-oneSMILES: C1=CC2=C(C=CC(=O)O2)C=C1OInChIKey: CJIJXIFQYOPWTF-UHFFFAOYSA-NInChI: InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10HSynonyms: N12041 | AKOS005258623 | Tubastatin A(free base) | 7FS6H939K6 | CCG-266293 | 6-hydroxychromen-2-one | 6-Hydroxycoumar...
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7-Hydroxy-4-phenylcoumarinCas Number: 2555-30-8Formula: C15H10O3 Molecular Weight: 238.24IUPAC Name: 7-hydroxy-4-phenylchromen-2-oneSMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OInChIKey: IVJMJRRORVMRJJ-UHFFFAOYSA-NInChI: InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16HSynonyms: R-242 | 7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phenylchromen-2-one | Coumarin derivative, 3c | PD119515 | Hyd...
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6-HydroxycoumarinCas Number: 6093-68-1Formula: C9H6O3 Molecular Weight: 162.14IUPAC Name: 6-hydroxychromen-2-oneSMILES: C1=CC2=C(C=CC(=O)O2)C=C1OInChIKey: CJIJXIFQYOPWTF-UHFFFAOYSA-NInChI: InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10HSynonyms: 6-Hydroxycoumarin|6093-68-1|6-Hydroxy-2H-chromen-2-one|6-hydroxychromen-2-one|2H-1-Benzopyran-2-one, 6-hydroxy-|6-hyd...
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7-HydroxycoumarinCas Number: 93-35-6 EC Number: 202-240-3Formula: C9H6O3 Molecular Weight: 162.14IUPAC Name: 7-hydroxychromen-2-oneSMILES: C1=CC(=CC2=C1C=CC(=O)O2)OInChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-NInChI: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10HSynonyms: Umbelliferone|7-hydroxycoumarin|93-35-6|7-Hydroxy-2H-chromen-2-one|Hydrangin|Skimmetin|7-hydroxycoumarine|Hydrangine|...
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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: saccharin|81-07-2|o-Benzoic sulfimide|o-Sulfobenzimide|Saccharine|Saccharimide|Benzosulfimide|Benzoic sulfimide|Garan...
