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Chemical Synthesis
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HydantoinCas Number: 461-72-3 EC Number: 207-313-3Formula: C3H4N2O2 Molecular Weight: 100.08IUPAC Name: imidazolidine-2,4-dioneSMILES: C1C(=O)NC(=O)N1InChIKey: WJRBRSLFGCUECM-UHFFFAOYSA-NInChI: InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)Synonyms: HYDANTOIN [WHO-DD] | AS-10977 | Dantochlor | HYDANTOINE | EN300-18068 | Hydantoins | I6208298TA | SMR000568395 | MLS0...
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Sodium SulfamateCas Number: 13845-18-6 Compound CID: 23700090Formula: H2NNaO3S Molecular Weight: 119.07IUPAC Name: sodium;sulfamateSMILES: NS(=O)(=O)[O-].[Na+]InChIKey: QDWYPRSFEZRKDK-UHFFFAOYSA-MInChI: InChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+1/p-1Synonyms: Sulfamic Acid Sodium Salt | Aminosulfonic Acid Sodium Salt
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Diphenyl guanidineCas Number: 102-06-7 EC Number: 203-002-1Formula: C13H13N3 Molecular Weight: 211.26IUPAC Name: 1,2-diphenylguanidineSMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)NInChIKey: OWRCNXZUPFZXOS-UHFFFAOYSA-NInChI: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)Synonyms: 1,3-Diphenylguanidine | CAS-102-06-7 | F3096-1727 | phenax | Tox21_110998 | Tox21_110998_1 | Tox21_400041 | Cambridge...
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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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Terbinafine, Squalene monooxygenase inhibitorFormula: C21H25N Molecular Weight: 291.43IUPAC Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amineSMILES: CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21InChIKey: DOMXUEMWDBAQBQ-WEVVVXLNSA-NInChI: InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+Synonyms: DT 067 | SF 86-327 | Lamisil | Terbinex | TDT 067 | MFCD00242672 | TERBINAFINE [USAN] | (E)-N-(6,6-Dimethyl-2-hepten-...
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5,6,7,8-TetrahydroisoquinolineCas Number: 36556-06-6 Compound CID: 119010Formula: C9H11N Molecular Weight: 133.19IUPAC Name: 5,6,7,8-tetrahydroisoquinolineSMILES: C1CCC2=C(C1)C=CN=C2InChIKey: HTMGQIXFZMZZKD-UHFFFAOYSA-NInChI: InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2Synonyms: MFCD00012168 | InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H | SCHEMBL28211 | Z104492180 | Q63408733 | BDBM5036...
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1,3-Di-o-tolylguanidine, Agonist of σ2;Agonist of sigma non-opioid intracellular receptor 1Cas Number: 97-39-2 EC Number: 202-577-6Formula: C15H17N3 Molecular Weight: 239.32IUPAC Name: 1,2-bis(2-methylphenyl)guanidineSMILES: CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)NInChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-NInChI: InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)Synonyms: Diorthotolylguanidine | 1,3-Bis(o-tolyl)guanidine | GTPL6685 | N,N'-Di-o-tolueylguanidine | Tox21_200712 | 1,2-di-(2-...
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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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1,6-HexamethylenediamineCas Number: 124-09-4 EC Number: 204-679-6Formula: C6H16N2 Molecular Weight: 116.2IUPAC Name: hexane-1,6-diamineSMILES: C(CCCN)CCNInChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-NInChI: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2Synonyms: 1,6-DIAMINO(HEXANE-2,2,5,5-D4) | 1,6-HEXANEDIAMINE [INCI] | MFCD00008243 | Hexamethylenediamine, solid | NCI-C61405 |...
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1,5-DiaminopentaneCas Number: 462-94-2 EC Number: 207-329-0Formula: NH2(CH2)5NH2 Molecular Weight: 102.18IUPAC Name: pentane-1,5-diamineSMILES: C(CCN)CCNInChIKey: VHRGRCVQAFMJIZ-UHFFFAOYSA-NInChI: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2Synonyms: BioDex 1- | EC 207-329-0 | UNII-L90BEN6OLL | 1,5-pentanediamine | AI3-26937 | Pentane-1,5-diamine | BBL027704 | CCG-2...
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2,4-Dichloro-5-sulfamoylbenzoic AcidCas Number: 2736-23-4Formula: C7H5Cl2NO4S Molecular Weight: 270.09IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acidSMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)OInChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-NInChI: InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)Synonyms: Oprea1_483230 | InChI=1/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14 | Furosemide I...
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2-QuinolinolCas Number: 59-31-4 Compound CID: 6038Formula: C9H7NO Molecular Weight: 145.16IUPAC Name: 1H-quinolin-2-oneSMILES: C1=CC=C2C(=C1)C=CC(=O)N2InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)Synonyms: 2-Hydroxyquinoline | STR05548 | alpha-Hydroxyquinoline | DB04745 | AKOS003297745 | W-104563 | C06338 | CCRIS 4327 | 2...
