 | | 1WE | | Name: | (2S)-1-phenylpropan-2-amine | | Formula: | C9 H13 N | | SMILES: | NC(Cc1ccccc1)C | | InChi: | InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 | | Synonyms: | Dextroamphetamine | | Definition date: | 2013-07-05 | | Last modified: | 2020-05-26 | | Release date: | 2013-12-11 | | Identifier: | (2S)-1-phenylpropan-2-amine |
|
 | | AB1 | | Name: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | | Formula: | C37 H48 N4 O5 | | SMILES: | O=C(NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)COc4c(cccc4C)C | | InChi: | InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 | | Synonyms: | ABT-378 | | Definition date: | 2002-09-24 | | Last modified: | 2020-05-26 | | Identifier: | (2S)-N-[(1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide |
|
 | | AFE | | Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | | Formula: | C21 H20 O10 | | SMILES: | O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4 | | InChi: | InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 | | Synonyms: | afzelin | | Definition date: | 2012-04-19 | | Last modified: | 2020-05-26 | | Release date: | 2012-08-31 | | Identifier: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside |
|
 | | AHD | | Name: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE | | Formula: | C4 H9 N O7 P2 | | SMILES: | [O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-] | | InChi: | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4 | | Synonyms: | ALENDRONATE | | Definition date: | 2005-01-11 | | Last modified: | 2020-05-26 | | Identifier: | (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate) |
|
 | | AIN | | Name: | 2-(ACETYLOXY)BENZOIC ACID | | Formula: | C9 H8 O4 | | SMILES: | O=C(Oc1ccccc1C(=O)O)C | | InChi: | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | | Synonyms: | ACETYLSALICYLIC ACID | | Definition date: | 2004-04-08 | | Last modified: | 2020-05-26 | | Identifier: | 2-(acetyloxy)benzoic acid |
|
 | | AM2 | | Name: | APRAMYCIN | | Formula: | C21 H41 N5 O11 | | SMILES: | O3C(OC1OC(CO)C(N)C(O)C1O)C(NC)C(O)C4OC(OC2C(N)CC(N)C(O)C2O)C(N)CC34 | | InChi: | InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1 | | Synonyms: | NEBRAMYCIN II | | Definition date: | 2005-02-17 | | Last modified: | 2020-05-26 | | Identifier: | (2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name) |
|
 | | 065 | | Name: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE | | Formula: | C28 H36 N2 O9 S | | SMILES: | O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5 | | InChi: | InChI=1S/C28H36N2O9S/c1-18(2)14-30(40(33,34)20-8-9-24-25(13-20)38-17-37-24)15-23(31)22(12-19-6-4-3-5-7-19)29-28(32)39-26-16-36-27-21(26)10-11-35-27/h3-9,13,18,21-23,26-27,31H,10-12,14-17H2,1-2H3,(H,29,32)/t21-,22-,23+,26-,27+/m0/s1 | | Synonyms: | RL-98065 | | Definition date: | 2007-07-03 | | Last modified: | 2020-05-26 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}carbamate |
|
 | | 08D | | Name: | Sulfamethoxazole | | Formula: | C10 H11 N3 O3 S | | SMILES: | O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 | | InChi: | InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) | | Synonyms: | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | | Definition date: | 2011-10-13 | | Last modified: | 2020-05-26 | | Identifier: | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
|
 | | 090 | | Name: | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE | | Formula: | C18 H16 N5 O3 | | SMILES: | O=C(c1cccnc1)Nc3nc2c(OC)c(OC)ccc2c4[n+]3ccn4 | | InChi: | InChI=1S/C18H15N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-10H,1-2H3,(H,20,21,22,24)/p+1 | | Synonyms: | N-(7,8-DIMETHOXY-1,8-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)NICOTINAMIDE | | Definition date: | 2006-10-19 | | Last modified: | 2020-05-26 | | Identifier: | 7,8-dimethoxy-5-[(pyridin-3-ylcarbonyl)amino]-1H-imidazo[1,2-c]quinazolin-4-ium |
|
 | | 2PM | | Name: | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE | | Formula: | C17 H21 N O | | SMILES: | O(CCN(C)C)C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 | | Synonyms: | DIPHENHYDRAMINE | | Definition date: | 2005-08-30 | | Last modified: | 2020-05-26 | | Identifier: | 2-(diphenylmethoxy)-N,N-dimethylethanamine |
|
 | | 2Y5 | | Name: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H84 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 | | Synonyms: | Phosphatidylinositol-4-phosphate | | Definition date: | 2014-05-12 | | Last modified: | 2020-05-26 | | Release date: | 2015-07-29 | | Identifier: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
|
 | | 37T | | Name: | THEOBROMINE | | Formula: | C7 H8 N4 O2 | | SMILES: | O=C2N(c1ncn(c1C(=O)N2)C)C | | InChi: | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | | Synonyms: | 3,7-DIMETHYLXANTHINE | | Definition date: | 2007-03-02 | | Last modified: | 2020-05-26 | | Identifier: | 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
 | | 3ZP | | Name: | 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal | | Formula: | C45 H75 N O17 | | SMILES: | O=C4C=CC(=CC(COC1OC(C(O)C(O)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C | | InChi: | InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-/m1/s1 | | Synonyms: | Macrocin | | Definition date: | 2014-12-17 | | Last modified: | 2020-05-26 | | Release date: | 2015-03-11 | | Identifier: | [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside |
|
 | | 486 | | Name: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE | | Formula: | C29 H35 N O2 | | SMILES: | O=C5C=C4C(=C3C(c1ccc(N(C)C)cc1)CC2(C(CCC2(C#CC)O)C3CC4)C)CC5 | | InChi: | InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | | Synonyms: | RU-486 | | Definition date: | 2002-12-27 | | Last modified: | 2020-05-26 | | Identifier: | (11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one |
|
 | | 2J8 | | Name: | (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | | Formula: | C24 H30 N6 O3 Se3 | | SMILES: | O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C | | InChi: | InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m0/s1 | | Synonyms: | cyclic-tris-(S)-valineselenazole | | Definition date: | 2013-10-25 | | Last modified: | 2020-05-26 | | Release date: | 2013-11-13 | | Identifier: | (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
|
 | | 2JT | | Name: | 1,3-dihydroxypropan-2-yl octadecanoate | | Formula: | C21 H42 O4 | | SMILES: | O=C(OC(CO)CO)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3 | | Synonyms: | 2-Stearoylglycerol | | Definition date: | 2013-11-08 | | Last modified: | 2020-05-26 | | Release date: | 2014-04-23 | | Identifier: | 1,3-dihydroxypropan-2-yl octadecanoate |
|
 | | 2OH | | Name: | 4,4'-PROPANE-2,2-DIYLDIPHENOL | | Formula: | C15 H16 O2 | | SMILES: | Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C | | InChi: | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 | | Synonyms: | 4,4'-ISOPROPYLIDENEDIPHENOL | | Definition date: | 2006-11-20 | | Last modified: | 2020-05-26 | | Identifier: | 4,4'-propane-2,2-diyldiphenol |
|
 | | 53Q | | Name: | Clomifene | | Formula: | C26 H28 Cl N O | | SMILES: | C(Oc1ccc(cc1)C(=C(/c2ccccc2)Cl)c3ccccc3)CN(CC)CC | | InChi: | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ | | Synonyms: | 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene | | Definition date: | 2015-07-22 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-19 | | Identifier: | 2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethan-1-amine |
|
 | | 55B | | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol | | Formula: | C11 H14 O4 | | SMILES: | COc1cc(cc(c1O)OC)C=CCO | | InChi: | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ | | Synonyms: | Sinapyl alcohol | | Definition date: | 2015-07-27 | | Last modified: | 2020-05-26 | | Release date: | 2015-09-16 | | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
|
 | | 572 | | Name: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE | | Formula: | C11 H19 N5 O3 S | | SMILES: | O=S(=O)(N2CCN(c1nc(ncc1)CO)CC2)N(C)C | | InChi: | InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3 | | Synonyms: | CP-166572 | | Definition date: | 2003-09-15 | | Last modified: | 2020-05-26 | | Identifier: | 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide |
|
 | | 5BX | | Name: | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one | | Formula: | C14 H15 N3 O2 | | SMILES: | CNC=1OC(C(N=1)=O)C(c2c3c(nc2)cccc3)C | | InChi: | InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1 | | Synonyms: | Indolemycin | | Definition date: | 2015-09-03 | | Last modified: | 2020-05-26 | | Release date: | 2015-11-18 | | Identifier: | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one |
|
 | | 4BW | | Name: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one | | Formula: | C20 H24 N10 O13 P2 | | SMILES: | O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(O)OC4C(OC(n2c3ncnc(N)c3nc2)C4O)COP(=O)(OC5C6O)O)N | | InChi: | InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | | Synonyms: | 3',3' cGAMP | | Definition date: | 2015-02-25 | | Last modified: | 2020-05-26 | | Release date: | 2015-04-15 | | Identifier: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one |
|
 | | 4DI | | Name: | 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE | | Formula: | C7 H17 N3 S | | SMILES: | [N@H]=C(SCCCCN(C)C)N | | InChi: | InChI=1S/C7H17N3S/c1-10(2)5-3-4-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9) | | Synonyms: | SKF-91488 | | Definition date: | 2005-09-01 | | Last modified: | 2020-05-26 | | Identifier: | 4-(dimethylamino)butyl imidothiocarbamate |
|
 | | 4DY | | Name: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide | | Formula: | C18 H27 N O3 | | SMILES: | c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O | | InChi: | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ | | Synonyms: | Capsaicin | | Definition date: | 2015-04-30 | | Last modified: | 2020-05-26 | | Release date: | 2016-07-06 | | Identifier: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide |
|
 | | 4MK | | Name: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine | | Formula: | C28 H36 Cl N5 O3 S | | SMILES: | O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3cc(c(cc3OC(C)C)C4CCNCC4)C)C(C)C | | InChi: | InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | | Synonyms: | Ceritinib | | Definition date: | 2013-09-16 | | Last modified: | 2020-05-26 | | Release date: | 2014-04-09 | | Identifier: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine |
|
