 | | 9OD | | Name: | (2Z)-9-oxodec-2-enoic acid | | Formula: | C10 H16 O3 | | SMILES: | O=C(C)CCCCC/C=CC(=O)O | | InChi: | InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6- | | Synonyms: | 9-keto-2(E)-decenoic acid | | Definition date: | 2007-11-27 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-9-oxodec-2-enoic acid |
|
 | | 9RC | | Name: | 5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine | | Formula: | C16 H18 N3 O10 P | | SMILES: | O=C1NC(=O)C(C)=CN1C2CC(O)C(O2)COP(Oc3ccc([N+]([O-])=O)cc3)(=O)O | | InChi: | InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1 | | Synonyms: | PNP-TMP | | Definition date: | 2018-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-03-13 | | Identifier: | 5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine |
|
 | | 9TP | | Name: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside | | Formula: | C32 H32 O13 S | | SMILES: | O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7 | | InChi: | InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 | | Synonyms: | Teniposide | | Definition date: | 2013-07-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside |
|
 | | 9V5 | | Name: | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene | | Formula: | C12 H8 Cl N O4 S | | SMILES: | [O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2 | | InChi: | InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H | | Synonyms: | BIS-TRIS BUFFER | | Definition date: | 2017-07-15 | | Last modified: | 2020-06-17 | | Release date: | 2017-10-25 | | Identifier: | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene |
|
 | | 9X1 | | Name: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium} | | Formula: | C46 H38 Cl2 N4 | | SMILES: | c1(ccc(Cl)cc1)N(C)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c8ccc(C[n+]5ccc(c6c5cccc6)N(C)c7ccc(cc7)Cl)cc8 | | InChi: | InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2 | | Synonyms: | TCD-717 | | Definition date: | 2017-06-21 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-14 | | Identifier: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium} |
|
 | | 9X6 | | Name: | thiodiglycolic acid | | Formula: | C4 H6 O4 S | | SMILES: | O=C(O)CSCC(=O)O | | InChi: | InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | | Synonyms: | 2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid | | Definition date: | 2013-07-29 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-26 | | Identifier: | 2,2'-sulfanediyldiacetic acid |
|
 | | 9XY | | Name: | Endoxifen | | Formula: | C25 H27 N O2 | | SMILES: | CNCCOc1ccc(cc1)C(=C(CC)c2ccccc2)c3ccc(cc3)O | | InChi: | InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24- | | Synonyms: | 4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol | | Definition date: | 2017-06-26 | | Last modified: | 2020-06-17 | | Release date: | 2017-10-11 | | Identifier: | 4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol |
|
 | | 9Y3 | | Name: | (2Z)-3-phenylprop-2-enal | | Formula: | C9 H8 O | | SMILES: | c1cccc(c1)[C@H]=CC=O | | InChi: | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- | | Synonyms: | Cis-Cinnamaldehyde | | Definition date: | 2018-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2019-08-14 | | Identifier: | (2Z)-3-phenylprop-2-enal |
|
 | | 9Z7 | | Name: | (3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1
',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione | | Formula: | C24 H25 N5 O4 | | SMILES: | c15ccccc1C4(C3(NC(C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C | | InChi: | InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1 | | Synonyms: | oxaline | | Definition date: | 2017-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-04 | | Identifier: | (3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione |
|
 | | CDX | | Name: | (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE | | Formula: | C11 H16 N4 O4 | | SMILES: | O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2 | | InChi: | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1 | | Synonyms: | ICRF-187 | | Definition date: | 2003-07-25 | | Last modified: | 2020-06-17 | | Identifier: | 4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione |
|
 | | CE1 | | Name: | O-DODECANYL OCTAETHYLENE GLYCOL | | Formula: | C28 H58 O9 | | SMILES: | O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3 | | Synonyms: | THESIT | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol |
|
 | | CE3 | | Name: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
clo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C16 H17 N5 O7 S2 | | SMILES: | O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1nc(sc1)N)C3SCC=2COC(=O)C | | InChi: | InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1 | | Synonyms: | CEFOTAXIME | | Definition date: | 2005-12-07 | | Last modified: | 2020-06-17 | | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
 | | CE4 | | Name: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro
-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C14 H15 N5 O6 S2 | | SMILES: | C=C2/C(C(O)=O)=NC(C(C(O)=O)NC(/C(c1csc(n1)N)=NOC)=O)SC2 | | InChi: | InChI=1S/C14H15N5O6S2/c1-5-3-26-11(18-7(5)12(21)22)9(13(23)24)17-10(20)8(19-25-2)6-4-27-14(15)16-6/h4,9,11H,1,3H2,2H3,(H2,15,16)(H,17,20)(H,21,22)(H,23,24)/b19-8-/t9-,11+/m0/s1 | | Synonyms: | cefotaxime, hydrolyzed, C3'-cleaved, open, unbound form | | Definition date: | 2017-01-20 | | Last modified: | 2020-06-17 | | Release date: | 2017-04-26 | | Identifier: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CE9 | | Name: | DODECYL NONA ETHYLENE GLYCOL ETHER | | Formula: | C30 H62 O10 | | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | | InChi: | InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3 | | Synonyms: | POLYDOCANOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol |
|
 | | CEB | | Name: | 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE | | Formula: | C10 H15 Cl N6 | | SMILES: | Clc1nc(nc(n1)NC(C#N)(C)CC)NCC | | InChi: | InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1 | | Synonyms: | DG-420314 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile |
|
 | | CEK | | Name: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | | Formula: | C28 H23 N O7 | | SMILES: | COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45 | | InChi: | InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1 | | Synonyms: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carbox
amide | | Definition date: | 2010-02-16 | | Last modified: | 2020-06-17 | | Identifier: | (9aS)-8-ethanoyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-dibenzofuran-4-carboxamide |
|
 | | CEL | | Name: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | | Formula: | C17 H14 F3 N3 O2 S | | SMILES: | O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N | | InChi: | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | | Synonyms: | CELECOXIB | | Definition date: | 2003-03-20 | | Last modified: | 2020-06-17 | | Identifier: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide |
|
 | | CET | | Name: | 2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE | | Formula: | C10 H15 Cl N6 | | SMILES: | Clc1nc(nc(n1)NC(C#N)(C)CC)NCC | | InChi: | InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1 | | Synonyms: | DG-420315 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile |
|
 | | CFF | | Name: | CAFFEINE | | Formula: | C8 H10 N4 O2 | | SMILES: | O=C2N(c1ncn(c1C(=O)N2C)C)C | | InChi: | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | | Synonyms: | 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE | | Definition date: | 2000-05-16 | | Last modified: | 2020-06-17 | | Identifier: | 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
 | | CFL | | Name: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one | | Formula: | C9 H13 F N3 O7 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2F)COP(=O)(O)O | | InChi: | InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | | Synonyms: | 2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE | | Definition date: | 2006-09-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one |
|
 | | CGB | | Name: | CALYSTEGINE B2 | | Formula: | C7 H13 N O4 | | SMILES: | OC12NC(CC1)C(O)C(O)C2O | | InChi: | InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1 | | Synonyms: | (1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL | | Definition date: | 2006-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol |
|
 | | CGS | | Name: | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | | Formula: | C18 H23 N3 O5 S | | SMILES: | O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C | | InChi: | InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | | Synonyms: | CGS-27023A | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide |
|
 | | CGT | | Name: | CARBA-GLUCOTROPAEOLIN | | Formula: | C15 H21 N O8 S2 | | SMILES: | O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2 | | InChi: | InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1 | | Synonyms: | (1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | | Definition date: | 2004-10-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate |
|
 | | CH9 | | Name: | 2-HYDROXYBIPHENYL | | Formula: | C12 H10 O | | SMILES: | Oc2ccccc2c1ccccc1 | | InChi: | InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H | | Synonyms: | 1,1'-BIPHENYL-2-OL | | Definition date: | 2005-09-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-19 | | Identifier: | biphenyl-2-ol |
|
 | | CHH | | Name: | N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM | | Formula: | C8 H18 N O | | SMILES: | O=C(C)CCC[N+](C)(C)C | | InChi: | InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1 | | Synonyms: | 4-KETOAMYLTRIMETHYLAMMONIUM | | Definition date: | 2006-06-14 | | Last modified: | 2020-06-17 | | Identifier: | N,N,N-trimethyl-4-oxopentan-1-aminium |
|
