Indoles and derivatives
Decaglycerin, TRC
CAS: 9041-07-0 Molecular Formula: C30H62O21 Molecular Weight (g/mol): 758.8 Synonym: Decaglycerol-Desmodur N100-Sorbitan Tristearate Copolymer,Great Oil DE 1 SMILES: C(C(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O)O
(-)-Esermethole, TRC
CAS: 65166-97-4 Molecular Formula: C14H20N2O Molecular Weight (g/mol): 232.32 Synonym: (3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-5-methoxy-1,3a,8-trimethylpyrrolo[2,3-b]indole,(-)-Eseroline Methyl Ether,(-)-O-Methyleseroline,NSC 340070 SMILES: COc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Bazedoxifene, TRC
CAS: 198481-32-2 Molecular Formula: C30 H34 N2 O3 Molecular Weight (g/mol): 470.6 Synonym: 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-,1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol,Bazedoxifene,WAY 140424 IUPAC Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol SMILES: OC=1C=CC(=CC1)C2=C(C3=CC(O)=CC=C3N2CC4=CC=C(OCCN5CCCCCC5)C=C4)C
Melatonin, TRC
CAS: 73-31-4 Molecular Formula: C13 H16 N2 O2 Molecular Weight (g/mol): 232.28 Synonym: Melatonin,Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI, ACI),Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI, 8CI),N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide (ACI),3-(2-Acetamidoethyl)-5-methoxyindole,5-Methoxy-N-acetyltryptamine,Circadin,Melatol,Melatonine,Melaxen,Melovine,N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide,N-Acetyl-5-methoxytryptamine,NSC 113928,NSC 56423,Regulin,Slenyto IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: COc1ccc2[nH]cc(CCNC(=O)C)c2c1
Zolmitriptan, TRC
CAS: 139264-17-8 Molecular Formula: C16 H21 N3 O2 Molecular Weight (g/mol): 287.36 Synonym: Zolmitriptan,(4S)-4-[[3-[2-Dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one,(S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone,311C90,Asco Top,BW 311C90,Xolnox,Zipton,Zomig,Zominat IUPAC Name: (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one SMILES: CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
Porfiromycin, TRC
CAS: 801-52-5 Molecular Formula: C16 H20 N4 O5 Molecular Weight (g/mol): 348.35 Synonym: Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, (1aS,8S,8aR,8bS)-,Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate (ester) (8CI),Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]-,ENT 50825,Methyl mitomycin C,Methylmitomycin,N-Methylmitomycin C,NCI 56410,NSC 56410,Porfiromycin,Porfiromycine,Regamycin,U 14743 SMILES: CO[C@@]12[C@H](COC(=O)N)C3=C(N1C[C@H]4[C@@H]2N4C)C(=O)C(=C(N)C3=O)C
Carvedilol, TRC
CAS: 72956-09-3 Molecular Formula: C24 H26 N2 O4 Molecular Weight (g/mol): 406.47 Synonym: Carvedilol,2-Propanol, 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]- (9CI),(±)-Carvedilol,1-(9H-Carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol,Artist,BM 14190,Carvediol,Coreg,DQ 2466,Dilatrend,Dimitone,Eucardic,Kredex,Querto,SKF 105517 IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol SMILES: COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23
Tryptophol, TRC
CAS: 526-55-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.2 Synonym: Indole-3-ethanol,2-(1H-Indol-3-yl)ethanol,2-(3-Indolyl)ethanol,3-(2-Hydroxyethyl)-1H-indole,3-(2-Hydroxyethyl)indole,3-(β-Hydroxyethyl)indole,IEA,NSC 3884,β-(3-Indole)ethanol; IUPAC Name: 2-(1H-indol-3-yl)ethanol SMILES: OCCC1=CNC2=C1C=CC=C2
Baeocystin, TRC
CAS: 21420-58-6 Molecular Formula: C11 H15 N2 O4 P Molecular Weight (g/mol): 270.222 Synonym: N-desmethyl Psilocybin,3-(2-(methylamino)ethyl)-1H-indol-4-yl, dihydrogen phosphate,1H-Indol-4-ol, 3-[2-(methylamino)ethyl]-, dihydrogen phosphate (ester) (9CI),Indol-4-ol, 3-[2-(methylamino)ethyl]-, dihydrogen phosphate (ester) (8CI),Baeocystin,Beocystin,[3-[2-(Methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate,1H-Indol-4-ol, 3-[2-(methylamino)ethyl]-, 4-(dihydrogen phosphate),3-[2-(methylamino)ethyl]-1H-indol-4-ol 4-(dihydrogen phosphate) IUPAC Name: [3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate SMILES: CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12
Rutaecarpine, TRC
CAS: 84-26-4 Molecular Formula: C18 H13 N3 O Molecular Weight (g/mol): 287.32 Synonym: Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-,Rutecarpine (6CI,7CI,8CI),8,13-Dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,NSC 258317,Rhetine,Rutaecarpine SMILES: O=C1N2CCc3c([nH]c4ccccc34)C2=Nc5ccccc15
Lestaurtinib, TRC
CAS: 111358-88-4 Molecular Formula: C26 H21 N3 O4 Molecular Weight (g/mol): 439.46 Synonym: 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S,10S,12R)-,9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, [9S-(9α,10β,12α)]-,(9S,10S,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one,A 154475.0,CEP 701,KT 5555,Lestaurtinib,NSC 621867,SP 924 SMILES: C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35
Serotonin, TRC
CAS: 50-67-9 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 Synonym: 1H-Indol-5-ol, 3-(2-aminoethyl)-,Indol-5-ol, 3-(2-aminoethyl)- (6CI,8CI),Tryptamine, 5-hydroxy-,3-(2-Aminoethyl)-1H-indol-5-ol,3-(2-Aminoethyl)indol-5-ol,3-(β-Aminoethyl)-5-hydroxyindole,5-HT,5-HTA,5-Hydroxy-3-(β-aminoethyl)indole,5-Hydroxyltryptamine,5-Hydroxytriptamine,5-Hydroxytryptamine,DS substance,Enteramin,Enteramine,Serotonin,Substance DS,Thrombocytin,Thrombotonin SMILES: NCCc1c[nH]c2ccc(O)cc12
Indomethacin, TRC
CAS: 53-86-1 Molecular Formula: C19 H16 Cl N O4 Molecular Weight (g/mol): 357.79 Synonym: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI, ACI),1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid (ACI),Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI),1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid,1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid,1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid,1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid,1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid,1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid,2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid,2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid,2-[1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid,[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid,Aconip,Amuno,Argun,Artracin,Artrinovo,Artrivia,Bonidin,Bonidon Gel,Catlep,Chibro-Amuno,Chrono-Indicid,Chrono-Indocid 75,Confortid,Dolcidium,Dolcidium PL,Dolovin,Durametacin,Elmetacin,Endol,Flam,Globa,Idomethine,Imbrilon,IMC,Inacid,Indacin,Indo-Phlogont,Indo-Rectolmin,Indo-Tablinen,Indocid,Indocid (pharmaceutical),Indocin,Indocin IV,Indocine,Indocollyre,Indomecol,Indomed,Indomee,Indometacin,Indometacine,Indomethacin,Indomethacine,Indomethine,Indomod,Indonol,Indoptic,Indoptol,Indorektal,IndoRich,Indoxen,Indren,Inflazon,Infrocin,Innamit,Inteban,Inteban SP,Lausit,MeSH ID: D007213,Metacen,Metartril,Methazine,Metindol,Mezolin,Microcid,Mikametan,Mobilan,N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid,NSC 77541,Reumacide,Rheumacin LA,Sadoreum,Tannex,Vital Vitacid,Vonum,α-[1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
Acetaminotadalafil, TRC
CAS: 1446144-71-3 Molecular Formula: C23 H20 N4 O5 Molecular Weight (g/mol): 432.43 Synonym: Acetamide, N-[(6R,12aR)-6-(1,3-benzodioxol-5-yl)-3,4,6,7,12,12a-hexahydro-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-,N-[(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-3,4,6,7,12,12a-hexahydro-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]acetamide,Acetaminotadalafil IUPAC Name: N-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-6-yl]acetamide SMILES: CC(=O)NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O
Auxinole, TRC
CAS: 86445-22-9 Molecular Formula: C20H19NO3 Molecular Weight (g/mol): 321.37 Synonym: alpha-[2-(2,4-Dimethylphenyl)-2-oxoethyl]-1H-Indole-3-acetic Acid; IUPAC Name: 4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid SMILES: Cc1ccc(C(=O)CC(C(=O)O)c2c[nH]c3ccccc23)c(C)c1