 | | 94R | | Name: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol | | Formula: | C28 H46 O | | SMILES: | C1C2(C(CC(O)C1)=CCC4C2CCC3(C)C(CCC34)C(CC/C(C(C)C)=C)C)C | | InChi: | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 | | Synonyms: | 24-methylenecholesterol | | Definition date: | 2017-12-18 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-08 | | Identifier: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol |
|
 | | 95H | | Name: | ~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy
l]-4-nitro-benzamide | | Formula: | C16 H22 N2 O8 S | | SMILES: | CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)c2ccc(cc2)[N+]([O-])=O)[CH](C)O | | InChi: | InChI=1S/C16H22N2O8S/c1-7(19)10(14-12(21)11(20)13(22)16(26-14)27-2)17-15(23)8-3-5-9(6-4-8)18(24)25/h3-7,10-14,16,19-22H,1-2H3,(H,17,23)/t7-,10-,11+,12-,13-,14-,16-/m1/s1 | | Synonyms: | RB02 | | Definition date: | 2017-04-23 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-09 | | Identifier: | ~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-nitro-benzamide |
|
 | | 961 | | Name: | 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-/m0/s1 | | Synonyms: | BMS961 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid |
|
 | | 964 | | Name: | 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID | | Formula: | C19 H27 N5 O5 S2 | | SMILES: | O=C(c1nccnc1C(=O)O)NC2CCC(C(=O)NCCSSCCNC(=O)C)CC2 | | InChi: | InChI=1S/C19H27N5O5S2/c1-12(25)20-8-10-30-31-11-9-23-17(26)13-2-4-14(5-3-13)24-18(27)15-16(19(28)29)22-7-6-21-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14+ | | Synonyms: | SP7343-SP7964 | | Definition date: | 2003-02-21 | | Last modified: | 2020-06-17 | | Identifier: | 3-({cis-4-[(2-{[2-(acetylamino)ethyl]disulfanyl}ethyl)carbamoyl]cyclohexyl}carbamoyl)pyrazine-2-carboxylic acid |
|
 | | 96N | | Name: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide | | Formula: | C21 H22 N2 O2 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23 | | InChi: | InChI=1S/C21H22N2O2/c1-4-17-19(14(3)24)13(2)23-20(17)21(25)22-12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,23H,4,12H2,1-3H3,(H,22,25) | | Synonyms: | XDM4 | | Definition date: | 2017-04-25 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide |
|
 | | 96V | | Name: | N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-
carboxamide | | Formula: | C26 H32 N4 O2 | | SMILES: | c12C(=CN(C(c1nc(c2)C)=O)CC=C)C(=O)N(C)C3CCN(CC3)C(c4ccccc4)C | | InChi: | InChI=1S/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/m0/s1 | | Synonyms: | 6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide | | Definition date: | 2017-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-14 | | Identifier: | N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide |
|
 | | 971 | | Name: | 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one | | Formula: | C20 H24 N8 O | | SMILES: | C5(CN(c1ncc2c(c1)c(nn2)c3cccc(n3)N4CCNCC4)CCN5C)=O | | InChi: | InChI=1S/C20H24N8O/c1-26-9-10-28(13-19(26)29)18-11-14-16(12-22-18)24-25-20(14)15-3-2-4-17(23-15)27-7-5-21-6-8-27/h2-4,11-12,21H,5-10,13H2,1H3,(H,24,25) | | Synonyms: | Cpd1 | | Definition date: | 2017-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-18 | | Identifier: | 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one |
|
 | | 972 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | | Formula: | C18 H19 Cl N4 O2 | | SMILES: | [O-]c3c(OCC(C)C)cccc3c2nc1cc(c(Cl)cc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23) | | Synonyms: | CRA_10972 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate |
|
 | | 987 | | Name: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid
e | | Formula: | C22 H27 Cl N4 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC4C(=O)N(C(C(=O)N3CCCC(N)C3)C)CC4 | | InChi: | InChI=1S/C22H27ClN4O4S/c1-14(21(28)26-9-2-3-18(24)13-26)27-10-8-20(22(27)29)25-32(30,31)19-7-5-15-11-17(23)6-4-16(15)12-19/h4-7,11-12,14,18,20,25H,2-3,8-10,13,24H2,1H3/t14-,18-,20-/m0/s1 | | Synonyms: | GTC000422 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide |
|
 | | 998 | | Name: | N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | | Formula: | C25 H38 N4 O3 | | SMILES: | O=C(NC2c1ccccc1CCC2)C3N(C(=O)C(NC(=O)C(NC)C)C(C)(C)C)CCC3 | | InChi: | InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1 | | Synonyms: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC
ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | N-methyl-L-alanyl-3-methyl-L-valyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
|
 | | 99M | | Name: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo
[3,4-d]pyrimidin-3-one | | Formula: | C26 H29 N7 O3 | | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4ccc(cc4)N5CCOCC5)CC=C)C(C)(O)C | | InChi: | InChI=1S/C26H29N7O3/c1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35/h4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30) | | Synonyms: | RAC-IV-050 | | Definition date: | 2017-04-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-04 | | Identifier: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 99T | | Name: | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine | | Formula: | C13 H21 N3 O8 S | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N | | InChi: | InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1 | | Synonyms: | S-(propanoic acid)glutathione | | Definition date: | 2013-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-15 | | Identifier: | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine |
|
 | | 9AR | | Name: | 9-HYDROXY ARISTOLOCHIC ACID | | Formula: | C17 H11 N O8 | | SMILES: | [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)ccc(O)c4OC | | InChi: | InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21) | | Synonyms: | 9-HYDROXY-8-METHOXY-6-NITRO-PHENANTHROL[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID | | Definition date: | 2000-10-06 | | Last modified: | 2020-06-17 | | Identifier: | 9-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid |
|
 | | 9AZ | | Name: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid | | Formula: | C20 H19 N3 O5 | | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1cccc(N)c1cc2CN3C(=O)C=4CO)CC | | InChi: | InChI=1S/C20H19N3O5/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27)/t20-/m0/s1 | | Synonyms: | 9 Amino camptothecin, open form | | Definition date: | 2013-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid |
|
 | | 9B7 | | Name: | 3',3'-cdIMP | | Formula: | C20 H22 N8 O14 P2 | | SMILES: | C5(C(C1C(COP(=O)(OC2C(COP(O1)(O)=O)OC(C2O)n4c3c(C(N=CN3)=O)nc4)O)O5)O)n7c6NC=NC(=O)c6nc7 | | InChi: | InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,
7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione | | Definition date: | 2017-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2017-09-27 | | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione |
|
 | | 9E6 | | Name: | 5-chloro thiophene-3-carboxylic acid | | Formula: | C5 H3 Cl O2 S | | SMILES: | OC(=O)c1csc(Cl)c1 | | InChi: | InChI=1S/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8) | | Synonyms: | 5-chloranylthiophene-3-carboxylic acid | | Definition date: | 2018-03-21 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-10 | | Identifier: | 5-chloranylthiophene-3-carboxylic acid |
|
 | | 9F3 | | Name: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane
]-3',4',7-triol | | Formula: | C12 H20 O10 | | SMILES: | OC[CH]1O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O2)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Beta-2,1'-alpha-2',3-Difructofuranose anhydride | | Definition date: | 2018-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (2~{R},3'~{S},4'~{S},4~{a}~{R},5'~{R},6~{R},7~{R},7~{a}~{S})-4~{a},5',6-tris(hydroxymethyl)spiro[3,6,7,7~{a}-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol |
|
 | | C7M | | Name: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA
N-2-AMINIUM | | Formula: | C25 H30 Cl N6 O4 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4 | | InChi: | InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium |
|
 | | C8F | | Name: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide | | Formula: | C38 H66 F N O9 | | SMILES: | Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide |
|
 | | C8M | | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | | Formula: | C15 H23 N7 O4 | | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
|
 | | C8P | | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide | | Formula: | C38 H67 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | | InChi: | InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide |
|
 | | C8X | | Name: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | Formula: | C12 H14 O6 | | SMILES: | OCCOC(=O)c1ccc(cc1)C(=O)OCCO | | InChi: | InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2 | | Synonyms: | bis(2-hydroxyethyl) terephthalate | | Definition date: | 2019-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-04-15 | | Identifier: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
|
 | | CAD | | Name: | CACODYLIC ACID | | Formula: | C2 H7 As O2 | | SMILES: | O=[As](O)(C)C | | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) | | Synonyms: | HYDROXYDIMETHYLARSINE OXIDE | | Definition date: | 1999-07-26 | | Last modified: | 2020-06-17 | | Identifier: | dimethylarsinic acid |
|
 | | CAU | | Name: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol | | Formula: | C18 H22 N2 O2 | | SMILES: | OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2 | | InChi: | InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 | | Synonyms: | (S)-Carazolol | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol |
|
 | | CBE | | Name: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE | | Formula: | C12 H13 N O2 S | | SMILES: | O=C(C=1SCCOC=1C)Nc2ccccc2 | | InChi: | InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) | | Synonyms: | 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
|
