 | | 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 |
|
 | | CHQ | | Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR | | Formula: | C11 H14 N4 O2 | | SMILES: | O=C1N3CCCC3C(=O)NC1Cc2cncn2 | | InChi: | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 | | Synonyms: | (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|
 | | CHR | | Name: | NEOCARZINOSTATIN-CHROMOPHORE | | Formula: | C35 H33 N O12 | | SMILES: | O=C1OCC(O1)C23C#CC=7C(=CC#CC3O2)C(OC4OC(C(O)C(O)C4NC)C)C(OC(=O)c6c5cc(OC)cc(c5ccc6O)C)C=7 | | InChi: | InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1 | | Synonyms: | NCS-CHROMOPHORE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate |
|
 | | CHZ | | Name: | 1,8-dihydroxyanthracene-9,10-dione | | Formula: | C14 H8 O4 | | SMILES: | O=C2c1cccc(O)c1C(=O)c3c2cccc3O | | InChi: | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H | | Synonyms: | Chrysazin | | Definition date: | 2009-06-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,8-dihydroxyanthracene-9,10-dione |
|
 | | CI4 | | Name: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one | | Formula: | C15 H11 Cl F N O3 | | SMILES: | Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3 | | InChi: | InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2 | | Synonyms: | XZ-116 | | Definition date: | 2012-10-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one |
|
 | | CIB | | Name: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE | | Formula: | C20 H37 N3 O4 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C)CC(C)C)C | | InChi: | InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1 | | Synonyms: | CALPAIN IHIBITOR I | | Definition date: | 2003-01-22 | | Last modified: | 2020-06-17 | | Identifier: | N-acetyl-L-leucyl-N-[(1S)-1-formylpentyl]-L-leucinamide |
|
 | | CIS | | Name: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE | | Formula: | C48 H91 N O11 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1 | | Synonyms: | (2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL | | Definition date: | 2005-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (15Z)-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracos-15-enamide |
|
 | | CIY | | Name: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | | Formula: | C10 H10 O3 | | SMILES: | O=CC=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ | | Synonyms: | Coniferaldehyde | | Definition date: | 2010-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
|
 | | CK4 | | Name: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | | Formula: | C16 H13 F3 N4 S | | SMILES: | FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3 | | InChi: | InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23) | | Synonyms: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
|
 | | CKR | | Name: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C15 H19 N7 O2 | | SMILES: | O=C2NC(=Nc1cc3nc(nc3cc12)NCCN4CCOCC4)N | | InChi: | InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23) | | Synonyms: | 6-Amino-2-[(2-morpholin-4-ylethyl)amino]-8-oxo-7,8-dihydro-1H-imidazo[4,5-G]quinazolin | | Definition date: | 2008-01-30 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
|
 | | CL5 | | Name: | N-(3-OXOPROPYL)GLYCINE | | Formula: | C5 H9 N O3 | | SMILES: | O=CCCNCC(=O)O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9) | | Synonyms: | FRAGMENT OF CLAVULANIC ACID | | Definition date: | 2006-10-11 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-oxopropyl)glycine |
|
 | | CLT | | Name: | 4-PHENYL-BUTANOIC ACID | | Formula: | C10 H12 O2 | | SMILES: | O=C(O)CCCc1ccccc1 | | InChi: | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) | | Synonyms: | GAMMA-PHENYL-BUTYRIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-phenylbutanoic acid |
|
 | | CLW | | Name: | CHLORZOXAZONE | | Formula: | C7 H4 Cl N O2 | | SMILES: | Clc2cc1c(OC(=O)N1)cc2 | | InChi: | InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) | | Synonyms: | 5-CHLORO-2-BENZOXAZOLONE | | Definition date: | 2002-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-chloro-1,3-benzoxazol-2(3H)-one |
|
 | | CM5 | | Name: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | | Formula: | C23 H42 O11 | | SMILES: | O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | 5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyclohexylpentyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
|
 | | CMK | | Name: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID | | Formula: | C17 H26 N3 O15 P | | SMILES: | O=C(O)C1(OC(C(O)CO)C(O)C(O)C1)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O | | InChi: | InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1 | | Synonyms: | CMP-2-KETO-3-DEOXY-OCTULOSONIC ACID | | Definition date: | 2001-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4R,5R,6R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
|
 | | CMZ | | Name: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol | | Formula: | C15 H23 N O3 | | SMILES: | OC(CN1CCOCC1)COc2cc(ccc2C)C | | InChi: | InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1 | | Synonyms: | (S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol | | Definition date: | 2007-07-16 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol |
|
 | | KCS | | Name: | carbonotrithioic acid | | Formula: | C H2 S3 | | SMILES: | S=C(S)S | | InChi: | InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4) | | Synonyms: | Trithiocarbonic acid | | Definition date: | 2009-10-19 | | Last modified: | 2020-06-17 | | Identifier: | carbonotrithioic acid |
|
 | | KEA | | Name: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H13 N6 O7 P | | SMILES: | C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-] | | InChi: | InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-azidocytidine monophosphate | | Definition date: | 2018-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-27 | | Identifier: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) |
|
 | | KEF | | Name: | CEFUROXIME (OCT-3-ENE FORM) | | Formula: | C16 H16 N4 O8 S | | SMILES: | O=C2N1C(C(=CSC1C2NC(=O)C(=NOC)/c3occc3)COC(=O)N)C(=O)O | | InChi: | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11-,14-/m1/s1 | | Synonyms: | (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB
OXYLIC ACID | | Definition date: | 1999-10-06 | | Last modified: | 2020-06-17 | | Identifier: | (2R,6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
|
 | | KIR | | Name: | KIRROMYCIN | | Formula: | C43 H60 N2 O12 | | SMILES: | O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C | | InChi: | InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1 | | Synonyms: | MOCIMYCIN | | Definition date: | 2002-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
|
 | | KIV | | Name: | 3-METHYL-2-OXOBUTANOIC ACID | | Formula: | C5 H8 O3 | | SMILES: | O=C(C(=O)O)C(C)C | | InChi: | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | | Synonyms: | ALPHA-KETOISOVALERIC ACID | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-methyl-2-oxobutanoic acid |
|
 | | KKN | | Name: | 3-methyl-2H-furo[2,3-c]pyran-2-one | | Formula: | C8 H6 O3 | | SMILES: | O=C2OC1=COC=CC1=C2C | | InChi: | InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3 | | Synonyms: | Karrikin KAR1 | | Definition date: | 2013-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-08 | | Identifier: | 3-methyl-2H-furo[2,3-c]pyran-2-one |
|
 | | KLT | | Name: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | | Formula: | C14 H11 Cl N2 O4 S | | SMILES: | O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 | | InChi: | InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1 | | Synonyms: | chlorthalidone | | Definition date: | 2008-11-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide |
|
 | | KNJ | | Name: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop
-2-en-1-yl)-1,3-thiazolidine-4-carboxamide | | Formula: | C30 H40 N4 O5 S | | SMILES: | O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)COc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C30H40N4O5S/c1-18(2)15-32-28(37)27-30(5,6)40-17-34(27)29(38)25(36)23(14-21-10-8-7-9-11-21)33-24(35)16-39-26-19(3)12-22(31)13-20(26)4/h7-13,23,25,27,36H,1,14-17,31H2,2-6H3,(H,32,37)(H,33,35)/t23-,25-,27+/m0/s1 | | Synonyms: | KNI-1689 | | Definition date: | 2009-05-29 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide |
|
 | | KNW | | Name: | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-
dihydro-1,4-benzoxazine-2-carboxylic acid | | Formula: | C30 H30 Cl F N2 O7 | | SMILES: | OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)cccc12)C(O)=O | | InChi: | InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1 | | Synonyms: | ONO-2570366 | | Definition date: | 2019-06-13 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-11 | | Identifier: | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
|
