 | | PYF | | Name: | 3-PYRIDINYLCARBINOL | | Formula: | C6 H7 N O | | SMILES: | OCc1cccnc1 | | InChi: | InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 | | Synonyms: | PYRIDIN-3-YLMETHANOL | | Definition date: | 2003-09-29 | | Last modified: | 2020-06-17 | | Identifier: | pyridin-3-ylmethanol |
|
 | | TLZ | | Name: | D-altritol | | Formula: | C6 H14 O6 | | SMILES: | OC(C(O)CO)C(O)C(O)CO | | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1 | | Synonyms: | D-talitol | | Definition date: | 2014-12-15 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | D-altritol |
|
 | | DR1 | | Name: | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | | Formula: | C16 H12 N2 | | SMILES: | N2=C1C(C=CC=C1)=C4C2=Cc3ccccc3N4C | | InChi: | InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3 | | Synonyms: | CRYPTOLEPINE | | Definition date: | 2001-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 5-methyl-5H-indolo[3,2-b]quinoline |
|
 | | SDT | | Name: | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione | | Formula: | C19 H24 O4 | | SMILES: | O=C3C(CCc1c(ccc(O)c1O)C)C2C(C(=O)CC2)(CC3)C | | InChi: | InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1 | | Synonyms: | 3,4-dhsa | | Definition date: | 2008-02-14 | | Last modified: | 2020-06-17 | | Identifier: | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione |
|
 | | T75 | | Name: | TAK-715 | | Formula: | C24 H21 N3 O S | | SMILES: | O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4 | | InChi: | InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28) | | Synonyms: | N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL]PYRIDIN-2-YL}BENZAMIDE | | Definition date: | 2011-06-28 | | Last modified: | 2020-06-17 | | Identifier: | N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide |
|
 | | DR4 | | Name: | METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATE | | Formula: | C16 H30 O8 | | SMILES: | O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1 | | Synonyms: | GALACTOSE GREASE | | Definition date: | 2005-05-13 | | Last modified: | 2020-06-17 | | Identifier: | methyl 9-(beta-D-galactopyranosyloxy)nonanoate |
|
 | | SSR | | Name: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol | | Formula: | C28 H28 F N3 O2 | | SMILES: | O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5 | | InChi: | InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3 | | Synonyms: | [2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone | | Definition date: | 2010-09-01 | | Last modified: | 2020-06-17 | | Identifier: | [2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone |
|
 | | YTZ | | Name: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide | | Formula: | C9 H9 N3 O2 S2 | | SMILES: | O=S(=O)(Nc1nccs1)c2ccc(N)cc2 | | InChi: | InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) | | Synonyms: | Sulfathiazole | | Definition date: | 2011-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide |
|
 | | 513 | | Name: | 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE | | Formula: | C9 H8 Br N S | | SMILES: | Brc2cc1c(scc1CN)cc2 | | InChi: | InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2 | | Synonyms: | FRAGMENT CC33513 | | Definition date: | 2011-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-(5-bromo-1-benzothiophen-3-yl)methanamine |
|
 | | DR7 | | Name: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,
6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | | Formula: | C38 H52 N6 O7 | | SMILES: | O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C | | InChi: | InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 | | Synonyms: | ATAZANAVIR | | Definition date: | 2005-09-26 | | Last modified: | 2020-06-17 | | Identifier: | methyl [(1S,4S,5S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate (non-preferred name) |
|
 | | SST | | Name: | L-arabinitol | | Formula: | C5 H12 O5 | | SMILES: | OC(CO)C(O)C(O)CO | | InChi: | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 | | Synonyms: | (2S,4S)-pentane-1,2,3,4,5-pentol | | Definition date: | 2014-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | L-arabinitol |
|
 | | ZGA | | Name: | Zaragozic acid A | | Formula: | C35 H46 O14 | | SMILES: | O=C(O)C1(O)C(OC2(OC1(C(=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=C)C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O | | InChi: | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 | | Synonyms: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno
yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | | Definition date: | 2011-10-27 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) |
|
 | | 515 | | Name: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC
ACID | | Formula: | C40 H37 N3 O10 | | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c3c2c(cccc2)c(cc3)CC(NC(=O)C)C(=O)NCCCCCOc5c(cc4c(cccc4)c5)C(=O)O | | InChi: | InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | | Synonyms: | COMPOUND 23 | | Definition date: | 2003-01-30 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(5-{[(2S)-2-(acetylamino)-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]naphthalen-1-yl}propanoyl]amino}pentyl)oxy]naphthalene-2-carboxylic acid (non-preferred name) |
|
 | | SSU | | Name: | URIDINE-5'-PHOSPHOROTHIOATE | | Formula: | C9 H13 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O | | InChi: | InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | SP-SULFUR-SUBSTITUTED URIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-thiophosphonouridine |
|
 | | DR9 | | Name: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL | | Formula: | C40 H75 O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC | | InChi: | InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1 | | Synonyms: | (2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL
(9E)-OCTADEC-9-ENOATE | | Definition date: | 2005-02-25 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate |
|
 | | PYV | | Name: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide | | Formula: | C16 H13 Br N2 O2 S | | SMILES: | Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3 | | InChi: | InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2 | | Synonyms: | Pyrabactin | | Definition date: | 2010-06-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
|
 | | DRD | | Name: | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID | | Formula: | C35 H35 N O5 | | SMILES: | O=C(O)C(Oc1cccc2c1ccn2CCCOc5ccc4cc(C(=O)c3ccccc3)ccc4c5CCC)(C)C | | InChi: | InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39) | | Synonyms: | 2-{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-4-YLOXY}-2-METHYLPROPIONIC ACID | | Definition date: | 2006-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-methyl-2-{[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-4-yl]oxy}propanoic acid |
|
 | | QED | | Name: | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2
-carboxamide) | | Formula: | C25 H28 N6 O9 | | SMILES: | O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O | | InChi: | InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38) | | Synonyms: | tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide | | Definition date: | 2009-06-19 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide) |
|
 | | W11 | | Name: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | | Formula: | C18 H18 F3 N3 O3 | | SMILES: | FC(F)(F)c1nc(no1)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C | | InChi: | InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3 | | Synonyms: | WIN63843 | | Definition date: | 2000-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole |
|
 | | QSO | | Name: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one | | Formula: | C16 H12 O5 | | SMILES: | O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O | | InChi: | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | | Synonyms: | Biochanin A | | Definition date: | 2007-09-26 | | Last modified: | 2020-06-17 | | Identifier: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
|
 | | U10 | | Name: | UBIQUINONE-10 | | Formula: | C59 H90 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | | InChi: | InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+ | | Synonyms: | Coenzyme Q10 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
|
 | | 51G | | Name: | gentamicin C1 | | Formula: | C21 H43 N5 O7 | | SMILES: | OC1C(NC)C(C)(O)COC1OC2C(CC(N)C(C2O)OC3OC(CCC3N)C(NC)C)N | | InChi: | InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 | | Synonyms: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydrox
ycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | | Definition date: | 2015-07-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-16 | | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
|
 | | ZXI | | Name: | 1-(4-iodophenyl)methanamine | | Formula: | C7 H8 I N | | SMILES: | C(c1ccc(cc1)I)N | | InChi: | InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | | Synonyms: | 4-Iodobenzylamine | | Definition date: | 2017-12-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-26 | | Identifier: | 1-(4-iodophenyl)methanamine |
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 | | U11 | | Name: | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | | Formula: | C16 H20 F3 N3 O5 | | SMILES: | FC(F)(F)c1ccc(cc1)C(N)C(O)C(=O)NC(C(=O)NCC(=O)OC)C | | InChi: | InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1 | | Synonyms: | {2-[3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-ACETIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}-L-alanylglycinate |
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 | | TMH | | Name: | (+)-alpha-Pinene | | Formula: | C10 H16 | | SMILES: | C1(=CCC2CC1C2(C)C)C | | InChi: | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 | | Synonyms: | (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE | | Definition date: | 2002-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
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