 | | IS2 | | Name: | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | | Formula: | C9 H12 N O4 P | | SMILES: | CCc1ccc(NC(=O)[P](O)(O)=O)cc1 | | InChi: | InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14) | | Synonyms: | ISO24 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (4-ethylphenyl)carbamoylphosphonic acid |
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 | | ISJ | | Name: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | | Formula: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 | | Synonyms: | Chorismic Acid | | Definition date: | 2011-08-29 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid |
|
 | | 388 | | Name: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID | | Formula: | C16 H12 Br Cl F N O4 | | SMILES: | Brc1cc(F)c(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O | | InChi: | InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22) | | Synonyms: | IDD388 | | Definition date: | 2006-10-05 | | Last modified: | 2020-06-17 | | Identifier: | {2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid |
|
 | | 38O | | Name: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one | | Formula: | C21 H21 F N6 O | | SMILES: | Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4 | | InChi: | InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | | Synonyms: | Dovitinib | | Definition date: | 2014-07-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-24 | | Identifier: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one |
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 | | 38S | | Name: | 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C10 H14 N2 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(CC2)CO | | InChi: | InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 | | Synonyms: | 3'-deoxy thymidine | | Definition date: | 2014-07-08 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-23 | | Identifier: | 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | LA8 | | Name: | L-ADENOSINE-5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1 | | Synonyms: | L-ADP | | Definition date: | 2011-03-08 | | Last modified: | 2020-06-17 | | Identifier: | 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine |
|
 | | 393 | | Name: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | | Formula: | C16 H13 Cl N2 O6 | | SMILES: | O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2cccc([N+]([O-])=O)c2 | | InChi: | InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) | | Synonyms: | IDD393 | | Definition date: | 2006-10-05 | | Last modified: | 2020-06-17 | | Identifier: | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid |
|
 | | 394 | | Name: | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | | Formula: | C23 H26 F N O4 | | SMILES: | O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C | | InChi: | InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1 | | Synonyms: | BMS270394 | | Definition date: | 2000-05-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid |
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 | | LAE | | Name: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE | | Formula: | C12 H19 N O4 | | SMILES: | O=C1OCCC1NC(=O)CC(=O)CCCCC | | InChi: | InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 | | Synonyms: | N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE | | Definition date: | 2002-03-07 | | Last modified: | 2020-06-17 | | Identifier: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
|
 | | LAP | | Name: | [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM | | Formula: | C20 H43 N O7 P | | SMILES: | O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC | | InChi: | InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1 | | Synonyms: | L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL | | Definition date: | 2002-09-02 | | Last modified: | 2020-06-17 | | Identifier: | 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide |
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 | | LAX | | Name: | EICOSA-8,11,14-TRIENOIC ACID | | Formula: | C20 H34 O2 | | SMILES: | O=C(O)CCCCCCC=C/CC=C/CC=C/CCCCC | | InChi: | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12- | | Synonyms: | DIHOMO-GAMMA-LINOLENIC ACID | | Definition date: | 2000-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid |
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 | | 3AA | | Name: | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | | Formula: | C20 H29 N7 O16 P3 | | SMILES: | Nc1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 | | Synonyms: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 2'-(DIHYDROGEN PHOSPHATE)ESTER WITH 3-(AMINO)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM
INNER SALT | | Definition date: | 2000-06-27 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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 | | 3AG | | Name: | 2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | | Formula: | C9 H18 N O7 P2 | | SMILES: | CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C | | InChi: | InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3 | | Synonyms: | 3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE | | Definition date: | 2002-11-06 | | Last modified: | 2020-06-17 | | Identifier: | [2-(methyl-(4-methylpent-3-enyl)amino)ethoxy-oxido-phosphoryl] phosphate |
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 | | LBN | | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | | Formula: | C42 H82 N O8 P | | SMILES: | C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O | | InChi: | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 | | Synonyms: | (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | | Definition date: | 2013-02-14 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-08 | | Identifier: | (2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
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 | | 3AM | | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | 3'-AMP | | Definition date: | 2008-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 3'-adenylic acid |
|
 | | LBV | | Name: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium
-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-
yl]propanoic acid | | Formula: | C33 H37 N4 O6 | | SMILES: | CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1 | | Synonyms: | 2(R),3(E)- PHYTOCHROMOBILIN | | Definition date: | 2006-12-22 | | Last modified: | 2020-06-17 | | Identifier: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | 3B5 | | Name: | AIK-18/51 | | Formula: | C30 H38 N9 O4 S | | SMILES: | O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c4cc(NC(=O)c3cc(NC(=O)c2cccnc2)cn3C)cn4C | | InChi: | InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1 | | Synonyms: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-
2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium | | Definition date: | 2014-07-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-30 | | Identifier: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium |
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 | | LCF | | Name: | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID | | Formula: | C23 H22 Cl N O2 | | SMILES: | Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4 | | InChi: | InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | | Synonyms: | LICOFELONE | | Definition date: | 2005-06-14 | | Last modified: | 2020-06-17 | | Identifier: | [6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid |
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 | | 3BC | | Name: | TERT-BUTYL
[(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1
-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | | Formula: | C38 H56 N6 O8 | | SMILES: | O=C(N4C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CC2CC2)C3C(C)(C3C4)C)C(NC(=O)OC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C38H56N6O8/c1-36(2,3)30(42-35(51)52-37(4,5)6)34(50)44-20-23-26(38(23,7)8)28(44)31(47)40-24(18-21-16-17-21)29(46)32(48)39-19-25(45)41-27(33(49)43(9)10)22-14-12-11-13-15-22/h11-15,21,23-24,26-28,30H,16-20H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24-,26-,27-,28-,30+/m0/s1 | | Synonyms: | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE | | Definition date: | 2006-01-20 | | Last modified: | 2020-06-17 | | Identifier: | tert-butyl [(1S)-1-{[(1R,2S,5S)-2-({(1S)-1-(cyclopropylmethyl)-3-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-2,3-dioxopropyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl}-2,2-dimethylpropyl]carbamate |
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 | | 3BK | | Name: | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C17 H18 Cl2 N6 O4 | | SMILES: | Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N | | InChi: | InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1 | | Synonyms: | 8-[(3,4-dichlorobenzyl)amino]adenosine | | Definition date: | 2009-01-28 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(3,4-dichlorobenzyl)amino]adenosine |
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 | | LCR | | Name: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid | | Formula: | C21 H25 Cl N2 O3 | | SMILES: | O=C(O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1 | | Synonyms: | R-levocetirizine | | Definition date: | 2015-09-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-23 | | Identifier: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid |
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 | | 3BS | | Name: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide | | Formula: | C16 H25 Cl N4 O3 S2 | | SMILES: | O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C | | InChi: | InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25) | | Synonyms: | (4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl | | Definition date: | 2008-09-12 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide |
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 | | 3BT | | Name: | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | | Formula: | C12 H18 N4 S2 | | SMILES: | S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N | | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16) | | Synonyms: | S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | | Definition date: | 1999-09-23 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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 | | 3C0 | | Name: | N-methyl scopolamine | | Formula: | C18 H24 N O4 | | SMILES: | O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO | | InChi: | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | | Synonyms: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | | Definition date: | 2014-07-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-26 | | Identifier: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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 | | LDC | | Name: | 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | | Formula: | C9 H13 N3 O4 | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2)CO | | InChi: | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1 | | Synonyms: | L-2'-DEOXYCYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
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