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YG
YG
表記:WYBUTOSINE
組成式:C21 H29 N6 O12 P
SMILES:O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C
InChi:InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12-,14-,15-,18-/m1/s1
別名:Y-BASE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:7-{(3R)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
DPB
DPB
表記:(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-B-D-THREO-PENTOFURANOSYL]THYMINE
組成式:C17 H19 N2 O8 P
SMILES:O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4)C
InChi:InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1
別名:DPB-T
定義日:2003-09-17
最終更新日:2020-06-17
識別子（ID）:1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
DPK
DPK
表記:DEPRENYL
組成式:C13 H19 N
SMILES:N(C(Cc1ccccc1)C)(CC=C)C
InChi:InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1
別名:N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE
定義日:2005-07-29
最終更新日:2020-06-17
識別子（ID）:N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-en-1-amine
66R
66R
表記:trans-Ned 19
組成式:C30 H31 F N4 O3
SMILES:c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C5c4nc6c(c4CC(N5)C(O)=O)cccc6)F
InChi:InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m0/s1
別名:(1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxy lic acid
定義日:2016-02-05
最終更新日:2020-06-17
公開日:2016-03-09
識別子（ID）:(1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
UF2
UF2
表記:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:C9 H12 F N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O
InChi:InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
別名:2'-fluoro-2'-deoxyuridine
定義日:2011-11-04
最終更新日:2020-06-17
識別子（ID）:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
678
678
表記:(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
組成式:C17 H13 Br N3 O3
SMILES:[O-]C(=O)Cc3cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3
InChi:InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1
別名:CRA_9678
定義日:2003-03-14
最終更新日:2020-06-17
識別子（ID）:(3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-bromo-4-oxidophenyl)acetate
DQT
DQT
表記:methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside
組成式:C23 H27 N O7
SMILES:O=C(c1ccc(cc1)C)NC3C(O)C(OC(OC)C3OC(=O)c2ccc(cc2)C)CO
InChi:InChI=1S/C23H27NO7/c1-13-4-8-15(9-5-13)21(27)24-18-19(26)17(12-25)30-23(29-3)20(18)31-22(28)16-10-6-14(2)7-11-16/h4-11,17-20,23,25-26H,12H2,1-3H3,(H,24,27)/t17-,18+,19+,20+,23-/m1/s1
別名:methyl 3-deoxy-2-O-4-toluoyl-3-(4-toluoyl)amino-beta-D-talopyranoside
定義日:2011-08-31
最終更新日:2020-06-17
識別子（ID）:methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside
684
684
表記:4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid
組成式:C25 H23 N7 O3
SMILES:O=C(O)CCCOc3cc2C=Cc1c(cccc1)N(c2cc3)Cc4nc5c(nc4)nc(nc5N)N
InChi:InChI=1S/C25H23N7O3/c26-23-22-24(31-25(27)30-23)28-13-17(29-22)14-32-19-5-2-1-4-15(19)7-8-16-12-18(9-10-20(16)32)35-11-3-6-21(33)34/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,33,34)(H4,26,27,28,30,31)
別名:PT684
定義日:2011-06-02
最終更新日:2020-06-17
識別子（ID）:4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid
685
685
表記:2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
組成式:C20 H23 N5 O2 S
SMILES:O=C(c1sc(nc1C)c2nc(ncc2)Nc3cc(cc(c3)C)C)NC(C)CO
InChi:InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1
別名:2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
定義日:2008-10-07
最終更新日:2020-06-17
識別子（ID）:2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
DR1
DR1
表記:5-METHYL-5H-INDOLO[3,2-B]QUINOLINE
組成式:C16 H12 N2
SMILES:N2=C1C(C=CC=C1)=C4C2=Cc3ccccc3N4C
InChi:InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
別名:CRYPTOLEPINE
定義日:2001-11-02
最終更新日:2020-06-17
識別子（ID）:5-methyl-5H-indolo[3,2-b]quinoline
DR4
DR4
表記:METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATE
組成式:C16 H30 O8
SMILES:O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1
別名:GALACTOSE GREASE
定義日:2005-05-13
最終更新日:2020-06-17
識別子（ID）:methyl 9-(beta-D-galactopyranosyloxy)nonanoate
DR7
DR7
表記:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
組成式:C38 H52 N6 O7
SMILES:O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C
InChi:InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
別名:ATAZANAVIR
定義日:2005-09-26
最終更新日:2020-06-17
識別子（ID）:methyl [(1S,4S,5S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate (non-preferred name)
DR9
DR9
表記:1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL
組成式:C40 H75 O10 P
SMILES:O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC
InChi:InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1
別名:(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE
定義日:2005-02-25
最終更新日:2020-06-17
識別子（ID）:(2R)-3-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
DRD
DRD
表記:2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID
組成式:C35 H35 N O5
SMILES:O=C(O)C(Oc1cccc2c1ccn2CCCOc5ccc4cc(C(=O)c3ccccc3)ccc4c5CCC)(C)C
InChi:InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)
別名:2-{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-4-YLOXY}-2-METHYLPROPIONIC ACID
定義日:2006-08-04
最終更新日:2020-06-17
識別子（ID）:2-methyl-2-{[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-4-yl]oxy}propanoic acid
DRK
DRK
表記:3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one
組成式:C20 H19 N3 O4
SMILES:O=C2N=C1C=CC=CC1=C2c4c(NOCCC(O)CO)c3ccccc3n4
InChi:InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2/t12-/m0/s1
別名:Indirubin_E804
定義日:2008-09-10
最終更新日:2020-06-17
識別子（ID）:3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one
UGY
UGY
表記:(2S)-amino(carbamoylamino)ethanoic acid
組成式:C3 H7 N3 O3
SMILES:O=C(N)NC(N)C(=O)O
InChi:InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
別名:(S)-2-ureidoglycine
定義日:2012-03-20
最終更新日:2020-06-17
識別子（ID）:(2S)-amino(carbamoylamino)ethanoic acid
693
693
表記:2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
組成式:C24 H17 F N4 O5
SMILES:[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3F)c4
InChi:InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
別名:CRA_17693
定義日:2003-03-14
最終更新日:2020-06-17
識別子（ID）:(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioate
UHD
UHD
表記:6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE
組成式:C18 H25 N O3 S
SMILES:O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC
InChi:InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
別名:3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL
定義日:2004-03-29
最終更新日:2020-06-17
識別子（ID）:6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
DSA
DSA
表記:4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
組成式:C25 H25 N3 O7
SMILES:O=C(N3c2cc(O)c1c(cc(C(=O)OC)n1)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5
InChi:InChI=1S/C25H25N3O7/c1-11-10-28(16-9-17(29)21-13(19(11)16)8-15(27-21)25(31)35-5)24(30)14-6-12-7-18(32-2)22(33-3)23(34-4)20(12)26-14/h6-9,11,26-27,29H,10H2,1-5H3/t11-/m0/s1
別名:(+)DUOCARMYCIN SA
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:methyl (8R)-4-hydroxy-8-methyl-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
DSI
DSI
表記:4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
組成式:C22 H19 N3 O4
SMILES:O=C(OC)c2nc1c(O)cc3c(c1c2)C(CN3C(=O)c5cc4ccccc4n5)C
InChi:InChI=1S/C22H19N3O4/c1-11-10-25(21(27)15-7-12-5-3-4-6-14(12)23-15)17-9-18(26)20-13(19(11)17)8-16(24-20)22(28)29-2/h3-9,11,23-24,26H,10H2,1-2H3/t11-/m1/s1
別名:(+)DUOCARMYCIN SA-INDOLE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:methyl (8S)-4-hydroxy-6-(1H-indol-2-ylcarbonyl)-8-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
6A5
6A5
表記:Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
組成式:C19 H19 Cl2 N5 O2
SMILES:O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4
InChi:InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3
別名:1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
定義日:2010-06-28
最終更新日:2020-06-17
識別子（ID）:[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone
6AN
6AN
表記:6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE
組成式:C16 H13 N O3 S
SMILES:O=S(=O)(O)c3ccc2cc(N=C1/C=CCC=C1)ccc2c3
InChi:InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20)
別名:2-ANILINONAPHTHALENE-6-SULFONIC ACID
定義日:2009-07-27
最終更新日:2020-06-17
識別子（ID）:6-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid
6AP
6AP
表記:9H-PURINE-2,6-DIAMINE
組成式:C5 H6 N6
SMILES:n1c(c2ncnc2nc1N)N
InChi:InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
別名:2,6-DIAMINOPURINE
定義日:2005-10-10
最終更新日:2020-06-17
識別子（ID）:9H-purine-2,6-diamine
DTA
DTA
表記:(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL]
組成式:C20 H24 N10 O6 S2
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSSCC6OC(n4c5ncnc(N)c5nc4)C(O)C6O)N
InChi:InChI=1S/C20H24N10O6S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(35-19)1-37-38-2-8-12(32)14(34)20(36-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
別名:DI-(5'-THIOADENOSINE)
定義日:2006-08-17
最終更新日:2020-06-17
識別子（ID）:(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-(disulfanediyldimethanediyl)bis[5-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol] (non-preferred name)
DTC
DTC
表記:BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
組成式:C19 H12 O6
SMILES:O=C1c4ccccc4OC(=O)C1CC2C(=O)c3c(OC2=O)cccc3
InChi:InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2/t12-,13+
別名:DICOUMAROL
定義日:2003-03-11
最終更新日:2020-06-17
識別子（ID）:(3R,3'S)-3,3'-methanediylbis(2H-chromene-2,4(3H)-dione)

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件を2025-12-03に公開中

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