 | | CCB | | Name: | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | | Formula: | C10 H17 N O | | SMILES: | O=CN(C1CCC1)C2CCCC2 | | InChi: | InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2 | | Synonyms: | N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE | | Definition date: | 2004-07-26 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclobutyl-N-cyclopentylformamide |
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 | | U2P | | Name: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL]
ESTER | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO | | InChi: | InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | URIDINE-2'-PHOSPHATE | | Definition date: | 2003-02-26 | | Last modified: | 2020-06-17 | | Identifier: | 2'-uridylic acid |
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 | | CCE | | Name: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM | | Formula: | C6 H15 N2 O2 | | SMILES: | O=C(OCC[N+](C)(C)C)N | | InChi: | InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | | Synonyms: | CARBAMYL-CHOLINE | | Definition date: | 2004-01-15 | | Last modified: | 2020-06-17 | | Identifier: | 2-(carbamoyloxy)-N,N,N-trimethylethanaminium |
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 | | CCR | | Name: | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | | Formula: | C29 H39 N5 O7 S | | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1 | | Synonyms: | CRC200 (CHIRON-BEHRING) | | Definition date: | 2001-10-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine |
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 | | U32 | | Name: | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE | | Formula: | C12 H15 N3 O2 S2 | | SMILES: | O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2 | | InChi: | InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17) | | Synonyms: | PNU-230032 | | Definition date: | 2005-06-06 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[5-(1-methylethyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
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 | | CCU | | Name: | (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID | | Formula: | C6 H6 O4 | | SMILES: | O=C(O)C=C/C=CC(=O)O | | InChi: | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2- | | Synonyms: | CIS,CIS-MUCONIC ACID | | Definition date: | 2005-12-09 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,4Z)-hexa-2,4-dienedioic acid |
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 | | CCV | | Name: | 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE | | Formula: | C9 H14 N2 O4 | | SMILES: | O=C1NC(=C(C(=O)N1)C)CC(CO)CO | | InChi: | InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15) | | Synonyms: | 6-(DIHYDROXY-ISOBUTYL)-THYMINE | | Definition date: | 2000-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | CCZ | | Name: | phenyl (4-carbamimidoylbenzyl)phosphonate | | Formula: | C14 H15 N2 O3 P | | SMILES: | O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18) | | Synonyms: | phenyl Benzamidine Phosphonate | | Definition date: | 2010-07-27 | | Last modified: | 2020-06-17 | | Identifier: | phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate |
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 | | U46 | | Name: | (5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID | | Formula: | C21 H34 O4 | | SMILES: | O=C(O)CCCC=C/CC2C(/C=C/C(O)CCCCC)C1OCC2C1 | | InChi: | InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20-/m1/s1 | | Synonyms: | 9,11-DIDEOXY-9,11-METHANOEPOXY PROSTAGLANDIN F2 | | Definition date: | 2005-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3R)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid |
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 | | 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 |
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 | | U49 | | Name: | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI
AZA-CYCLOOCTADECOSINE-9-CARBONITRILE | | Formula: | C26 H21 N5 O2 | | SMILES: | O=C3N4c6c5cc(Oc1cc(ccc1C#N)Cn2cncc2CNC3CC4)ccc5ccc6 | | InChi: | InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1 | | Synonyms: | COMPOUND 49 | | Definition date: | 2002-04-25 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.6.2.1~2,5~.1~14,18~.0~8,12~.0~23,27~]triaconta-1(27),8,10,14(29),15,17,20(28),21,23,25-decaene-17-carbonitrile (non-preferred name) |
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 | | 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 |
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 | | 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 |
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 | | U51 | | Name: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid | | Formula: | C20 H32 N2 O2 | | SMILES: | O=C(O)CCC/C=CCC2C1N=NC(C1)C2/C=C/CCCCCC | | InChi: | InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1 | | Synonyms: | 9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID | | Definition date: | 2005-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid |
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 | | U66 | | Name: | (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA
ZACYCLONOADECOSINE-9-CARBONITRILE | | Formula: | C27 H27 N5 O2 | | SMILES: | O=C3N4c6c5cc(OC1CC(=CCC1C#N)Cn2cncc2CCNC3CC4)ccc5ccc6 | | InChi: | InChI=1S/C27H27N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-4,6-7,13,15,17,20,24,26,30H,5,8-12,16H2/t20-,24+,26?/m1/s1 | | Synonyms: | COMPOUND 66 | | Definition date: | 2002-04-24 | | Last modified: | 2020-06-17 | | Identifier: | (5S,18R,19R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile (non-preferred name) |
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 | | U75 | | Name: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | | Formula: | C23 H22 N4 O3 | | SMILES: | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)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)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | | Definition date: | 2016-01-07 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-18 | | Identifier: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
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 | | U7V | | Name: | Tedizolid | | Formula: | C17 H15 F N6 O3 | | SMILES: | c2cc(c1nn(C)nn1)ncc2c3c(F)cc(cc3)N4CC(OC4=O)CO | | InChi: | InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | | Synonyms: | torezolid | | Definition date: | 2020-04-30 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one |
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 | | UAA | | Name: | URACIL-6-ACETIC ACID | | Formula: | C6 H6 N2 O4 | | SMILES: | O=C1NC(=CC(=O)N1)CC(=O)O | | InChi: | InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12) | | Synonyms: | 6-CARBOXYMETHYLURACIL | | Definition date: | 2002-01-14 | | Last modified: | 2020-06-17 | | Identifier: | (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid |
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 | | UC2 | | Name: | N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE | | Formula: | C17 H19 Cl N2 O2 S | | SMILES: | S=C(Nc1cc(C=NOC(C)(C)C)c(Cl)cc1)c2c(occ2)C | | InChi: | InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+ | | Synonyms: | UC10 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide |
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 | | UC3 | | Name: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE | | Formula: | C14 H18 Cl N O3 S | | SMILES: | O=C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C | | InChi: | InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20) | | Synonyms: | UC38 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-methylethyl 2-chloro-5-{[(1-methylethoxy)carbonothioyl]amino}benzoate |
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 | | UC4 | | Name: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | | Formula: | C16 H18 Cl N O4 S | | SMILES: | O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(Cl)cc2 | | InChi: | InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19) | | Synonyms: | UC84 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate |
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 | | UCB | | Name: | 1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM | | Formula: | C29 H37 Cl2 N2 O2 | | SMILES: | Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC[N+](CC)(CC3CCCCCC3)CC4)cc5 | | InChi: | InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33- | | Synonyms: | UCB35625 | | Definition date: | 2004-12-07 | | Last modified: | 2020-06-17 | | Identifier: | trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium |
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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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 | | JDJ | | Name: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol | | Formula: | C30 H54 O9 | | SMILES: | CC(CC(C)(c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO)C)(C)C | | InChi: | InChI=1S/C30H54O9/c1-29(2,3)26-30(4,5)27-6-8-28(9-7-27)39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h6-9,31H,10-26H2,1-5H3 | | Synonyms: | Anapoe-X-114 | | Definition date: | 2018-09-04 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol |
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 | | JDR | | Name: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide | | Formula: | C13 H13 Cl N4 O3 S2 | | SMILES: | O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O | | InChi: | InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18) | | Synonyms: | 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | | Definition date: | 2010-03-29 | | Last modified: | 2020-06-17 | | Identifier: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide |
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