Indoles and derivatives
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
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
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
Eletriptan, TRC
CAS: 143322-58-1 Molecular Formula: C22 H26 N2 O2 S Molecular Weight (g/mol): 382.52 Synonym: 3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole,1H-Indole, 3-[(1-methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethyl]-, (R)-,(R)-5-[2-(Benzenesulfonyl)ethyl]-3-[(N-methylpyrrolidin-2-yl)methyl]-1H-indole,Eletriptan,UK 116044 IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole SMILES: CN1CCC[C@@H]1Cc2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23
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
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
Carbazomycin A, TRC
CAS: 75139-39-8 Molecular Formula: C16H17NO2 Molecular Weight (g/mol): 255.31 Synonym: 3,4-Dimethoxy-1,2-dimethyl-9H-carbazole IUPAC Name: 3,4-dimethoxy-1,2-dimethyl-9H-carbazole SMILES: CC1=C(C)C(NC2=C3C=CC=C2)=C3C(OC)=C1OC
Ramatroban, TRC
CAS: 116649-85-5 Molecular Formula: C21 H21 F N2 O4 S Molecular Weight (g/mol): 416.47 Synonym: (3R)-3-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic Acid,BAY-u 3405,Baynas IUPAC Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid SMILES: OC(=O)CCn1c2CC[C@H](Cc2c3ccccc13)NS(=O)(=O)c4ccc(F)cc4
Ondansetron, TRC
CAS: 99614-02-5 Molecular Formula: C18 H19 N3 O Molecular Weight (g/mol): 293.36 Synonym: Ondansetron,1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one,1,2,3,4-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-9H-carbazol-4-one,GR 38032,GR 38032X,Ondanles,Setron,Yatrox,Zofran,Zophren,Zudan IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one SMILES: Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C
Meleagrin, TRC
CAS: 71751-77-4 Molecular Formula: C23 H23 N5 O4 Molecular Weight (g/mol): 433.46 Synonym: (3E,7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione,[7aR-(3E,7aR*,12aS*)]-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione,6-O-Demethyloxaline; SMILES: CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4\C(=C\c5cnc[nH]5)\C(=O)N[C@@]134)C(C)(C)C=C
Tryptamine, TRC
CAS: 61-54-1 Molecular Formula: C10 H12 N2 Molecular Weight (g/mol): 160.22 Synonym: Indole, 3-(2-aminoethyl)- (8CI),2-(1H-Indol-3-yl)ethan-1-amine,2-(1H-Indol-3-yl)ethanamine,2-(1H-Indol-3-yl)ethylamine,2-(3-Indolyl)ethylamine,3-(2-Aminoethyl)-1H-indole,3-(2-Aminoethyl)indole,3-Indoleethanamine,3-Indoleethylamine,NSC 165212,Tryptamin,Tryptamine,β-(3-Indolyl)ethylamine,1H-Indole-3-ethanamine IUPAC Name: 2-(1H-indol-3-yl)ethanamine SMILES: NCCc1c[nH]c2ccccc12
Mitomycin A, TRC
CAS: 4055-39-4 Molecular Formula: C16 H19 N3 O6 Molecular Weight (g/mol): 349.34 Synonym: Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, (1aS,8S,8aR,8bS)-,Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester) (8CI),Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, [1aS-(1aα,8β,8aα,8bα)]-,Mitomycin A (7CI),(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,NSC 75986,Mitomycin Imp. B (EP) SMILES: COC1=C(C)C(=O)C2=C([C@@H](COC(=O)N)[C@@]3(OC)[C@H]4N[C@H]4CN23)C1=O
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