 | | RX5 | | Name: | methyl
(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]
methoxy}ethyl)carbamate | | Formula: | C26 H41 Cl N4 O5 | | SMILES: | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3 | | InChi: | InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 | | Synonyms: | VTP-27999 | | Definition date: | 2011-02-14 | | Last modified: | 2020-06-17 | | Identifier: | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
|
 | | TZE | | Name: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL | | Formula: | C6 H9 N O S | | SMILES: | OCCc1scnc1C | | InChi: | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 | | Synonyms: | 4-METHYL-5-HYDROXYETHYLTHIAZOLE | | Definition date: | 1999-07-30 | | Last modified: | 2020-06-17 | | Identifier: | 2-(4-methyl-1,3-thiazol-5-yl)ethanol |
|
 | | URM | | Name: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic
(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)
anhydride | | Formula: | C16 H26 N2 O16 P2 | | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1 | | Synonyms: | Uridine diphospho methylene galactopyranose | | Definition date: | 2010-04-14 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid |
|
 | | SRE | | Name: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | | Formula: | C17 H17 Cl2 N | | SMILES: | Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3 | | InChi: | InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | | Synonyms: | Sertraline | | Definition date: | 2009-04-03 | | Last modified: | 2020-06-17 | | Identifier: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine |
|
 | | NFZ | | Name: | NITROFURAZONE | | Formula: | C6 H6 N4 O4 | | SMILES: | O=[N+]([O-])c1oc(/C=N/NC(=O)N)cc1 | | InChi: | InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+ | | Synonyms: | 5-NITRO-2-FURALDEHYDE SEMICARBAZONE | | Definition date: | 2005-01-27 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitrofuran-2-carbaldehyde semicarbazone |
|
 | | TZT | | Name: | SOBLIDOTIN | | Formula: | C39 H67 N5 O6 | | SMILES: | O=C(N2C(C(OC)C(C(=O)NCCc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N(C)C)C(C)C)C(C)C)C)C(C)CC | | InChi: | InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30+,31+,33+,34+,35+,36-/m1/s1 | | Synonyms: | TZT-1027 | | Definition date: | 2008-08-12 | | Last modified: | 2020-06-17 | | Identifier: | N,N-dimethyl-L-valyl-N-{(1S,2S)-2-methoxy-4-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}pyrrolidin-1-yl]-1-[(1R)-1-methylpropyl]-4-oxobutyl}-N-methyl-L-valinamide |
|
 | | RXM | | Name: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1
5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2
5-yl acetate | | Formula: | C43 H51 N3 O11 | | SMILES: | N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O | | InChi: | InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1 | | Synonyms: | Rifaximin | | Definition date: | 2017-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-18 | | Identifier: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
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 | | M8F | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | | Formula: | C14 H25 N3 O6 S2 | | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | | Definition date: | 2011-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
|
 | | L12 | | Name: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | | Formula: | C15 H14 N2 | | SMILES: | n1ccc(cc1)CCc3c2ccccc2nc3 | | InChi: | InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2 | | Synonyms: | INHIBITOR OF P38 KINASE | | Definition date: | 2004-09-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2-pyridin-4-ylethyl)-1H-indole |
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 | | JS4 | | Name: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM
INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(
HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL | | Formula: | C28 H57 N7 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4OCCNCCCN)CO | | InChi: | InChI=1S/C28H57N7O14/c29-2-1-3-35-4-5-43-25-23(48-26-15(33)20(41)18(39)12(7-30)44-26)14(9-37)46-28(25)49-24-17(38)10(31)6-11(32)22(24)47-27-16(34)21(42)19(40)13(8-36)45-27/h10-28,35-42H,1-9,29-34H2/t10-,11+,12+,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+/m1/s1 | | Synonyms: | 2"-O-[N-(3-(AMINOPROPYL)2-AMINOETHYL]PAROMOMYCIN | | Definition date: | 2005-11-16 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[2-O-{2-[(3-aminopropyl)amino]ethyl}-3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
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 | | JS5 | | Name: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4
,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI
N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL | | Formula: | C31 H61 N7 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C(O)C(O)C3N)C5OCCNCC4CCCNC4)CO | | InChi: | InChI=1S/C31H61N7O14/c32-7-15-21(42)23(44)18(35)29(47-15)51-26-17(11-40)49-31(28(26)46-5-4-38-9-12-2-1-3-37-8-12)52-27-20(41)13(33)6-14(34)25(27)50-30-19(36)24(45)22(43)16(10-39)48-30/h12-31,37-45H,1-11,32-36H2/t12?,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1 | | Synonyms: | 2"-O-[N-(3-(AMINOMETHYL)-PYRIDINE)-2-AMINOETHYL]PAROMOMYCIN | | Definition date: | 2005-11-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-(2-{[(3R)-piperidin-3-ylmethyl]amino}ethyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
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 | | 1C1 | | Name: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi
nium | | Formula: | C19 H20 Cl F N5 O2 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N | | InChi: | InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1 | | Synonyms: | [amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H-
inden-2-yl]methyl}amino)methylidene]azanium | | Definition date: | 2012-11-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-29 | | Identifier: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium |
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 | | NGB | | Name: | 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C18 H25 N O13 | | SMILES: | [O-][N+](=O)c3ccc(OC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)cc3 | | InChi: | InChI=1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1 | | Synonyms: | P-NITROPHENYL-GENTIOBIOSIDE | | Definition date: | 2013-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-06-25 | | Identifier: | 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | NGD | | Name: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD
ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-
YL]PYRIDINIUM | | Formula: | C21 H28 N7 O15 P2 | | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1 | | Synonyms: | NICOTINAMIDE GUANINE DINUCLEOTIDE | | Definition date: | 2006-12-12 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | N1S | | Name: | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol | | Formula: | C15 H26 O | | SMILES: | CC(=CCCC(=CCCC(=C/CO)C)C)C | | InChi: | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11- | | Synonyms: | cis,trans-Farnesol | | Definition date: | 2019-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2019-05-08 | | Identifier: | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
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 | | VNK | | Name: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | | Formula: | C27 H52 N4 O5 | | SMILES: | O=C(NC(CC(C)C)C(O)C(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | | InChi: | InChI=1S/C27H52N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-21,24-25,34H,10-16H2,1-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1 | | Synonyms: | vinylketone carmaphycin analogue VNK1, double bound form | | Definition date: | 2012-11-01 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
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 | | U06 | | Name: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid | | Formula: | C23 H22 N4 O3 | | SMILES: | CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC)c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)6-4-5-17-13-16(11-12-20(17)30-2)14-7-9-15(10-8-14)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) | | Synonyms: | 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | | Definition date: | 2016-01-07 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-23 | | Identifier: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid |
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 | | XIA | | Name: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid | | Formula: | C17 H22 O4 | | SMILES: | CC(C)=CCC[C]1(C)Oc2ccc(cc2C[CH]1O)C(O)=O | | InChi: | InChI=1S/C17H22O4/c1-11(2)5-4-8-17(3)15(18)10-13-9-12(16(19)20)6-7-14(13)21-17/h5-7,9,15,18H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m0/s1 | | Synonyms: | xiamenmycin B | | Definition date: | 2018-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-20 | | Identifier: | (2~{R},3~{S})-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid |
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 | | ZLD | | Name: | N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | | Formula: | C16 H20 F N3 O4 | | SMILES: | O=C1OC(CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3 | | InChi: | InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 | | Synonyms: | Linezolid | | Definition date: | 2008-06-03 | | Last modified: | 2020-06-17 | | Identifier: | N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
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 | | SS2 | | Name: | (1R)-1-PHENYLETHANOL | | Formula: | C8 H10 O | | SMILES: | OC(c1ccccc1)C | | InChi: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 | | Synonyms: | 1-PHENYLETHANOL | | Definition date: | 2005-06-13 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-1-phenylethanol |
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 | | UF2 | | Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H12 F N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O | | InChi: | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | | Synonyms: | 2'-fluoro-2'-deoxyuridine | | Definition date: | 2011-11-04 | | Last modified: | 2020-06-17 | | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | JD7 | | Name: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile | | Formula: | C14 H13 N3 | | SMILES: | C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3 | | InChi: | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1 | | Synonyms: | fadrozole | | Definition date: | 2018-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
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 | | NV2 | | Name: | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one | | Formula: | C23 H30 N4 O4 | | SMILES: | COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4 | | InChi: | InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | | Synonyms: | 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Definition date: | 2019-12-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-15 | | Identifier: | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
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 | | XIM | | Name: | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C7 H10 N2 O3 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2 | | InChi: | InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1 | | Synonyms: | XYLOSE-DERIVED IMIDAZOLE | | Definition date: | 2000-08-17 | | Last modified: | 2020-06-17 | | Identifier: | (6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | SSD | | Name: | 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT | | Formula: | C9 H18 O9 S2 | | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,19+/m0/s1 | | Synonyms: | DIASTEREOMER OF SALACINOL | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | ({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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