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Chemical synthesis
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CyclooctanoneCas Number: 502-49-8 EC Number: 207-940-2Formula: C8H14O Molecular Weight: 126.2IUPAC Name: cyclooctanoneSMILES: C1CCCC(=O)CCC1InChIKey: IIRFCWANHMSDCG-UHFFFAOYSA-NInChI: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2Synonyms: BDBM50028793 | AKOS000119617 | BCP09447 | Cyclooctanone, 98% | CyclooCLanone | UNII-Z4GO9P8SUZ | BBL011399 | AMY3996 ...
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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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VanillinFormula: C8H8O3 Molecular Weight: 152.15IUPAC Name: 4-hydroxy-3-methoxybenzaldehydeSMILES: COC1=C(C=CC(=C1)C=O)OInChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3Synonyms: 2-Methoxy-4-formylphenol | 3-Methoxy-4-hydroxybenzaldehyde | 4-Hydroxy-m-anisaldehyde | Lioxin | p-Vanillin | Vanilli...
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SalicylaldehydeCas Number: 90-02-8 EC Number: MFCD00003317 Compound CID: 6998Formula: C7H6O2 Molecular Weight: 122.12IUPAC Name: 2-hydroxybenzaldehydeSMILES: C1=CC=C(C(=C1)C=O)OInChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9HSynonyms: InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9 | NCGC00249108-01 | Salicylal | o-Hydroxybenzaldehyde | Salicylaldehyde, r...
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CyclopentanoneCas Number: 120-92-3 EC Number: 204-435-9Formula: C5H8O Molecular Weight: 84.12IUPAC Name: cyclopentanoneSMILES: C1CCC(=O)C1InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-NInChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2Synonyms: CAS-120-92-3 | Ketopentamethylene | DTXCID209154 | FT-0624259 | WLN: L5VTJ | HSDB 2822 | STR00465 | CYCLOPENTANONE [F...
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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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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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4-(1-Pyrrolidino)benzaldehydeCas Number: 51980-54-2 EC Number: 257-570-0Formula: C11H13NO Molecular Weight: 175.23IUPAC Name: 4-pyrrolidin-1-ylbenzaldehydeSMILES: C1CCN(C1)C2=CC=C(C=C2)C=OInChIKey: DATXHLPRESKQJK-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2Synonyms: Z57127459 | 4-pyrrolidinobenzaldehyde | F0679 | FT-0616490 | SCHEMBL253732 | A828869 | DTXSID40199942 | PS-3693 | 4-(...
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1-Methyl-2-pyrrolecarboxaldehydeCas Number: 1192-58-1Formula: C6H7NO Molecular Weight: 109.13IUPAC Name: 1-methylpyrrole-2-carbaldehydeSMILES: CN1C=CC=C1C=OInChIKey: OUKQTRFCDKSEPL-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3Synonyms: N-Methyl-2-pyrrolecarboxaldehyde | Q27283313 | InChI=1/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H | 1-methyl-1H-pyrrol-2-carb...
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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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2-Hydroxy-4-methoxybenzaldehydeCas Number: 673-22-3 EC Number: 211-604-0Formula: C8H8O3 Molecular Weight: 152.15IUPAC Name: 2-hydroxy-4-methoxybenzaldehydeSMILES: COC1=CC(=C(C=C1)C=O)OInChIKey: WZUODJNEIXSNEU-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3Synonyms: A835710 | InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H | 2-Hydroxy-4-methoxybenazldehyde | 2-Hydroxy-p-anisa...
