 | | 4E8 | | Name: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | | Formula: | C18 H20 F N5 | | SMILES: | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | | Synonyms: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
|
 | | PIN | | Name: | PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | | Formula: | C8 H18 N2 O6 S2 | | SMILES: | O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1 | | InChi: | InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16) | | Synonyms: | PIPES | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2,2'-piperazine-1,4-diyldiethanesulfonic acid |
|
 | | PIZ | | Name: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane
-1,2-diyl dihexadecanoate | | Formula: | C41 H82 O22 P4 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1 | | Synonyms: | PI(3,4,5)P3 dipalmitoyl (16:0, 16:0) | | Definition date: | 2014-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-30 | | Identifier: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
|
 | | PLA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID | | Formula: | C13 H19 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(=O)O | | InChi: | InChI=1S/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1 | | Synonyms: | N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-aspartic acid |
|
 | | PLK | | Name: | (3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID | | Formula: | C15 H25 N2 O7 P | | SMILES: | O=C(O)CC(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C)C | | InChi: | InChI=1S/C15H25N2O7P/c1-9(2)4-12(5-14(18)19)17-7-13-11(8-24-25(21,22)23)6-16-10(3)15(13)20/h6,9,12,17,20H,4-5,7-8H2,1-3H3,(H,18,19)(H2,21,22,23)/t12-/m1/s1 | | Synonyms: | R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate | | Definition date: | 2011-05-30 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid |
|
 | | PLQ | | Name: | 1,4-benzoquinone | | Formula: | C6 H4 O2 | | SMILES: | O=C1C=CC(=O)C=C1 | | InChi: | InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H | | Synonyms: | cyclohexa-2,5-diene-1,4-dione | | Definition date: | 2007-11-13 | | Last modified: | 2020-06-17 | | Identifier: | cyclohexa-2,5-diene-1,4-dione |
|
 | | 4HC | | Name: | 4-HYDROXY-2H-CHROMEN-2-ONE | | Formula: | C9 H6 O3 | | SMILES: | O=C2Oc1ccccc1C(O)=C2 | | InChi: | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H | | Synonyms: | 4-HYDROXY-1-BENZOPYRAN-2-ONE | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-2H-chromen-2-one |
|
 | | 4HF | | Name: | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC
ACID | | Formula: | C19 H23 N5 O6 S | | SMILES: | O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O | | InChi: | InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1 | | Synonyms: | 6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID | | Definition date: | 2006-02-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid |
|
 | | PM0 | | Name: | premithramycin B | | Formula: | C53 H72 O24 | | SMILES: | O=C8c4c(cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(=O)C(C(=O)C)=C(O)C9OC | | InChi: | InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1 | | Synonyms: | (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}
-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl
2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-
arabino-hexopyranoside | | Definition date: | 2010-12-06 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-09 | | Identifier: | (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside |
|
 | | PM2 | | Name: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | | Formula: | C26 H29 N3 O | | SMILES: | O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3)CN)CC4 | | InChi: | InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2 | | Synonyms: | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | | Definition date: | 2005-03-09 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine |
|
 | | PM6 | | Name: | 9H-purine-6-thiol | | Formula: | C5 H4 N4 S | | SMILES: | n2c1c(ncn1)c(nc2)S | | InChi: | InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | | Synonyms: | 6-Mercaptopurine | | Definition date: | 2007-12-01 | | Last modified: | 2020-06-17 | | Identifier: | 9H-purine-6-thiol |
|
 | | PME | | Name: | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1 | | InChi: | InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 | | Synonyms: | ASPARTAME | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | methyl L-alpha-aspartyl-L-phenylalaninate |
|
 | | PMG | | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID | | Formula: | C14 H21 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CCC(=O)O | | InChi: | InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1 | | Synonyms: | N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE | | Definition date: | 2005-04-25 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-glutamic acid |
|
 | | PMO | | Name: | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE | | Formula: | C13 H17 N2 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O | | InChi: | InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1 | | Synonyms: | PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
|
 | | PMX | | Name: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine | | Formula: | C14 H14 Cl N O6 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC | | InChi: | InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1 | | Synonyms: | (+)-Xylariamide A | | Definition date: | 2010-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine |
|
 | | PMY | | Name: | AGLYCON OF PEPLOMYCIN | | Formula: | C48 H67 N17 O10 S2 | | SMILES: | O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N | | InChi: | InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1 | | Synonyms: | AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE | | Definition date: | 1999-07-16 | | Last modified: | 2020-06-17 | | Identifier: | 2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name) |
|
 | | PMZ | | Name: | 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE | | Formula: | C19 H22 N2 O S | | SMILES: | O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C | | InChi: | InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 | | Synonyms: | ACETYLPROMAZINE | | Definition date: | 2002-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone |
|
 | | PN6 | | Name: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione | | Formula: | C19 H20 N4 O2 | | SMILES: | [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3 | | InChi: | InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- | | Synonyms: | Plinabulin | | Definition date: | 2015-08-28 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-04 | | Identifier: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione |
|
 | | 4J3 | | Name: | amino(aminooxy)sulfane dioxide | | Formula: | H4 N2 O3 S | | SMILES: | NS(=O)(ON)=O | | InChi: | InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4) | | Synonyms: | Hydroxylamine-O-sulfonamide | | Definition date: | 2015-03-20 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-30 | | Identifier: | amino(aminooxy)sulfane dioxide |
|
 | | PNP | | Name: | METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER | | Formula: | C7 H8 N O5 P | | SMILES: | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C | | InChi: | InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12) | | Synonyms: | 4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-nitrophenyl hydrogen (R)-methylphosphonate |
|
 | | 4JF | | Name: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11
'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino
-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside | | Formula: | C68 H90 N6 O24 | | SMILES: | c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O | | InChi: | InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1 | | Synonyms: | Lomaiviticin A | | Definition date: | 2016-03-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-01 | | Identifier: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
|
 | | PNV | | Name: | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID | | Formula: | C16 H18 N2 O5 S | | SMILES: | c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O | | InChi: | InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | | Synonyms: | PENICILLIN V | | Definition date: | 2005-11-14 | | Last modified: | 2020-06-17 | | Identifier: | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|
 | | PNX | | Name: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | | Formula: | C13 H18 N4 O3 | | SMILES: | O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C | | InChi: | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | | Synonyms: | PENTOXIFYLLINE | | Definition date: | 2005-06-28 | | Last modified: | 2020-06-17 | | Identifier: | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
|
 | | POD | | Name: | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE | | Formula: | C22 H22 O8 | | SMILES: | O=C4OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC)c3)C45 | | InChi: | InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 | | Synonyms: | PODOPHYLLOTOXIN | | Definition date: | 2004-03-04 | | Last modified: | 2020-06-17 | | Identifier: | (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
|
 | | 4KL | | Name: | Xanthuric acid | | Formula: | C10 H7 N O4 | | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | | Synonyms: | Xanthurenate | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-18 | | Identifier: | 4,8-dihydroxyquinoline-2-carboxylic acid |
|
