 | | CCQ | | Name: | L-CARNITINYL-COA INNER SALT | | Formula: | C28 H49 N8 O18 P3 S | | SMILES: | CC(C)(CO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)C[N+](C)(C)C | | InChi: | InChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1 | | Synonyms: | O5'-(4-(3-{2-[2-((R)-3-HYDROXY-4-(TRIMETHYLAMMONIO)-1-OXO-BUTYL)SULFANYL-ETHYLCARBAMOYL]-ETHYLCARBAMOYL}-(R)-3-HYDROXY-2,2-DIMETHYL-PROPYL)-1-HYDROXY-3-OXIDO-1,3-DIOXO-2,4-DIOXA-1,3-DIPHOSPHABUT-1-YL) 3'-PHOSPHO-ADENOSINE | | Definition date: | 2004-11-11 | | Last modified: | 2021-03-13 | | Identifier: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3R)-3-hydroxy-4-trimethylazaniumyl-butanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
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 | | CFA | | Name: | (2,4-DICHLOROPHENOXY)ACETIC ACID | | Formula: | C8 H6 Cl2 O3 | | SMILES: | Clc1cc(Cl)ccc1OCC(=O)O | | InChi: | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) | | Synonyms: | 2,4-DICHLOROPHENOXYACETIC ACID | | Definition date: | 2001-12-05 | | Last modified: | 2021-03-13 | | Identifier: | (2,4-dichlorophenoxy)acetic acid |
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 | | 1CR | | Name: | PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A | | Formula: | C74 H74 N10 O18 S | | SMILES: | O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13 | | InChi: | InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90) | | Synonyms: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid | | Definition date: | 2008-05-12 | | Last modified: | 2021-03-13 | | Identifier: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name) |
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 | | CGE | | Name: | Clopidogrel | | Formula: | C16 H16 Cl N O2 S | | SMILES: | Clc1ccccc1C(N3CCc2sccc2C3)C(=O)OC | | InChi: | InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1 | | Synonyms: | methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate | | Definition date: | 2010-04-07 | | Last modified: | 2021-03-13 | | Identifier: | methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate |
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 | | 1DP | | Name: | N1-deaza-adenosine-5'-monophosphate | | Formula: | C11 H15 N4 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(N)ccnc12)C(O)C3O | | InChi: | InChI=1S/C11H15N4O7P/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1 | | Synonyms: | 3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine | | Definition date: | 2009-07-01 | | Last modified: | 2021-03-13 | | Identifier: | 3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine |
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 | | JN3 | | Name: | CHENODEOXYCHOLIC ACID | | Formula: | C24 H40 O4 | | SMILES: | O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | | Synonyms: | (3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID | | Definition date: | 2007-01-02 | | Last modified: | 2021-03-13 | | Identifier: | (3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid |
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 | | CH0 | | Name: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C66 H114 O36 | | SMILES: | OCC%10OC(OC1C(O)C(O)C(OC1CO)OCCOC7CCC8(C)C4CC(OCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO)C9(C)C(C4C(OCCOC6OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CC8C7)CCC9C(C)CCC)C(O)C(O)C%10O | | InChi: | InChI=1S/C66H114O36/c1-5-6-26(2)29-7-8-30-40-31(19-39(66(29,30)4)90-13-16-93-61-55(87)49(81)58(38(25-72)99-61)102-64-52(84)46(78)43(75)35(22-69)96-64)65(3)10-9-28(88-11-14-91-59-53(85)47(79)56(36(23-70)97-59)100-62-50(82)44(76)41(73)33(20-67)94-62)17-27(65)18-32(40)89-12-15-92-60-54(86)48(80)57(37(24-71)98-60)101-63-51(83)45(77)42(74)34(21-68)95-63/h26-64,67-87H,5-25H2,1-4H3/t26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-/m1/s1 | | Synonyms: | 3,7,12-tris[(-D-maltopyranosyl)ethyloxy]cholane | | Definition date: | 2010-03-06 | | Last modified: | 2021-03-13 | | Identifier: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis(2-{[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | G12 | | Name: | 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE | | Formula: | C10 H6 Br2 O3 | | SMILES: | Brc2c(O)ccc1c2OC(=O)C(Br)=C1C | | InChi: | InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3 | | Synonyms: | 3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE | | Definition date: | 2007-06-28 | | Last modified: | 2021-03-13 | | Identifier: | 3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one |
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 | | G2V | | Name: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | | Formula: | C15 H17 N3 | | SMILES: | C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C | | InChi: | InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3 | | Synonyms: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole | | Definition date: | 2018-05-02 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-05 | | Identifier: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
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 | | CK1 | | Name: | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE | | Formula: | C8 H5 Cl2 N3 S | | SMILES: | Clc2sc(Cl)cc2c1nc(ncc1)N | | InChi: | InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13) | | Synonyms: | 4-(2,5-DICHLORO-THIOPHEN-3-YL)-PYRIMIDIN-2-YLAMINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-13 | | Identifier: | 4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine |
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 | | CK2 | | Name: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE | | Formula: | C9 H10 N4 S | | SMILES: | n2c(c1sc(nc1C)C)ccnc2N | | InChi: | InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13) | | Synonyms: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-13 | | Identifier: | 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine |
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 | | G3X | | Name: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol | | Formula: | C24 H34 N2 O3 | | SMILES: | OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5 | | InChi: | InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1 | | Synonyms: | (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol | | Definition date: | 2009-07-10 | | Last modified: | 2021-03-13 | | Identifier: | (4aS,6R,8aS)-3-methoxy-11-[3-(piperidin-1-yl)propyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol (non-preferred name) |
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 | | CLJ | | Name: | Calicheamicin alpha3I | | Formula: | C47 H59 I N2 O19 S4 | | SMILES: | O=C(OC)NC=6C(=O)CC5(O)C#CC=CC#CC(OC4OC(C(NOC3OC(C(SC(=O)c2c(c(I)c(OC1OC(C)C(O)C(OC)C1O)c(OC)c2OC)C)C(O)C3)C)C(O)C4O)C)C=6C5=C/CSSSC | | InChi: | InChI=1S/C47H59IN2O19S4/c1-20-29(38(60-5)41(62-7)39(31(20)48)68-45-37(56)40(61-6)34(53)22(3)66-45)43(57)72-42-23(4)64-28(18-25(42)51)69-50-32-21(2)65-44(36(55)35(32)54)67-27-14-12-10-11-13-16-47(59)19-26(52)33(49-46(58)63-8)30(27)24(47)15-17-71-73-70-9/h10-11,15,21-23,25,27-28,32,34-37,40,42,44-45,50-51,53-56,59H,17-19H2,1-9H3,(H,49,58)/b11-10-,24-15+/t21-,22+,23-,25+,27+,28+,32-,34+,35+,36-,37-,40-,42-,44+,45+,47+/m1/s1 | | Synonyms: | S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[[(2S,5Z,9R,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyl-oxan-3-yl]amino]oxy-4-hydroxy-2-methyl-oxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methyl-benzenecarbothioate | | Definition date: | 2010-10-21 | | Last modified: | 2021-03-13 | | Identifier: | S-[(2R,3S,4S,6S)-6-({[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2S,5Z,9R,13E)-9-hydroxy-12-[(methoxycarbonyl)amino]-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-1(12),5-diene-3,7-diyn-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]amino}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl] 4-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-iodo-5,6-dimethoxy-2-methylbenzenecarbothioate (non-preferred name) |
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 | | CMU | | Name: | 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL | | Formula: | C9 H11 Cl N4 O2 | | SMILES: | ClC1=C(NC(=O)NC1=O)CN2C(=[N@H])CCC2 | | InChi: | InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/b11-6- | | Synonyms: | 5-CHLORO-6-[(2-IMINOPYRROLIDIN-1-YL)METHYL]PYRIMIDINE-2,4(1H,3H)-DIONE | | Definition date: | 2003-09-23 | | Last modified: | 2021-03-13 | | Identifier: | 5-chloro-6-{[(2Z)-2-iminopyrrolidin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
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 | | G87 | | Name: | Metosulam | | Formula: | C14 H13 Cl2 N5 O4 S | | SMILES: | c2(nc1n(c(cc(OC)n1)OC)n2)S(Nc3c(c(C)ccc3Cl)Cl)(=O)=O | | InChi: | InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 | | Synonyms: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide | | Definition date: | 2018-05-14 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-26 | | Identifier: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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 | | CP9 | | Name: | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | | Formula: | C21 H16 N4 O S | | SMILES: | O=C2Sc1ccccc1N2Cc5ccc(n3c4ccncc4nc3C)cc5 | | InChi: | InChI=1S/C21H16N4OS/c1-14-23-17-12-22-11-10-18(17)25(14)16-8-6-15(7-9-16)13-24-19-4-2-3-5-20(19)27-21(24)26/h2-12H,13H2,1H3 | | Synonyms: | CP-94,707 | | Definition date: | 2004-06-29 | | Last modified: | 2021-03-13 | | Identifier: | 3-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzyl]-1,3-benzothiazol-2(3H)-one |
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 | | G8M | | Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid | | Formula: | C7 H11 N O4 | | SMILES: | O=C(O)C(N)C1CCC1C(=O)O | | InChi: | InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1 | | Synonyms: | (2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine | | Definition date: | 2012-07-30 | | Last modified: | 2021-03-13 | | Identifier: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid |
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 | | G9I | | Name: | 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one | | Formula: | C23 H26 N4 O | | SMILES: | O=C1NCCn2c(CCc3ccc(CN4CCCC4)cc3)nc5cccc1c25 | | InChi: | InChI=1S/C23H26N4O/c28-23-19-4-3-5-20-22(19)27(15-12-24-23)21(25-20)11-10-17-6-8-18(9-7-17)16-26-13-1-2-14-26/h3-9H,1-2,10-16H2,(H,24,28) | | Synonyms: | 1-[2-(4-Pyrrolidin-1-ylmethyl-phenyl)-ethyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one | | Definition date: | 2009-11-03 | | Last modified: | 2021-03-13 |
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 | | GA9 | | Name: | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE | | Formula: | C24 H13 Br2 Cl O4 | | SMILES: | Brc1c(O)ccc(c1)C4(OC(=O)c2c3c(c(Cl)cc2)cccc34)c5ccc(O)c(Br)c5 | | InChi: | InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H | | Synonyms: | 4-CHLORO-3',3"-DIBROMOPHENOL-1,8-NAPHTHALEIN | | Definition date: | 2005-08-03 | | Last modified: | 2021-03-13 | | Identifier: | 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one |
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 | | CRE | | Name: | GERMACRENE A | | Formula: | C15 H24 | | SMILES: | C1(=CCCC(=CCC(C(=C)C)CC1)C)C | | InChi: | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/t15-/m1/s1 | | Synonyms: | 8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE | | Definition date: | 2000-06-08 | | Last modified: | 2021-03-13 | | Identifier: | (1Z,5E,8R)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene |
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 | | GB4 | | Name: | (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE | | Formula: | C9 H7 Cl2 N O2 | | SMILES: | Clc1cc(Cl)ccc1/C=C/C(=O)NO | | InChi: | InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+ | | Synonyms: | 2,4-DICHLOROCINNAMYLHYDROXAMATE | | Definition date: | 2006-10-05 | | Last modified: | 2021-03-13 | | Identifier: | (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide |
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 | | GBM | | Name: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide | | Formula: | C23 H28 Cl N3 O5 S | | SMILES: | O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc3 | | InChi: | InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | | Synonyms: | Glibenclamide | | Definition date: | 2015-04-03 | | Last modified: | 2021-03-13 | | Release date: | 2015-11-25 | | Identifier: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide |
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 | | CTF | | Name: | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate | | Formula: | C21 H28 N2 O4 S | | SMILES: | O=S(=O)(Oc1cc3c(cc1OC)C2CCC4(C(CCC4C2CC3)CC#N)C)N | | InChi: | InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1 | | Synonyms: | 2-methoxy-17beta-cyanomethylestra-1,3,5,(10)-trien-3-O-sulfamate, 19-Norpregna-1,3,5(10)-triene-21-nitrile,3-[(aminosulfonyl)oxy]-2-methoxy | | Definition date: | 2007-11-22 | | Last modified: | 2021-03-13 | | Identifier: | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate |
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 | | CTZ | | Name: | C2-HYDROXY-COELENTERAZINE | | Formula: | C26 H21 N3 O4 | | SMILES: | O=C1N3C=C(N=C(C3=NC1(O)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 | | InChi: | InChI=1S/C26H21N3O4/c30-20-10-6-18(7-11-20)15-26(33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 | | Synonyms: | 8-BENZYL-2-HYDROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE | | Definition date: | 2000-03-21 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-8-benzyl-2-hydroxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one |
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 | | CUF | | Name: | [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II) | | Formula: | C34 H38 Cu F2 N4 O4 | | SMILES: | Fc8cc3c(N5=Cc7c(O[Cu]54Oc2cc(OCCN1CCCCC1)ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F | | InChi: | InChI=1S/C34H40F2N4O4.Cu/c35-29-21-31(37-23-25-7-9-27(19-33(25)41)43-17-15-39-11-3-1-4-12-39)32(22-30(29)36)38-24-26-8-10-28(20-34(26)42)44-18-16-40-13-5-2-6-14-40 | | Synonyms: | N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Copper (II) | | Definition date: | 2011-03-03 | | Last modified: | 2021-03-13 | | Identifier: | [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper |
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