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AQ4
AQ4
表記:[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE
組成式:C22 H23 N3 O4
SMILES:n2c1c(cc(OCCOC)c(OCCOC)c1)c(nc2)Nc3cc(C#C)ccc3
InChi:InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
別名:ERLOTINIB
定義日:2002-06-26
最終更新日:2020-06-17
識別子（ID）:N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
AQ7
AQ7
表記:N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
組成式:C12 H20 N2 O4
SMILES:C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1
InChi:InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
別名:N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form
定義日:2017-07-21
最終更新日:2020-06-17
公開日:2018-01-17
識別子（ID）:N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
DCE
DCE
表記:1,2-DICHLOROETHANE
組成式:C2 H4 Cl2
SMILES:ClCCCl
InChi:InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
別名:ETHYLENE DICHLORIDE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:1,2-dichloroethane
DCI
DCI
表記:2-METHYL-BUTYLAMINE
組成式:C5 H13 N
SMILES:NCC(C)CC
InChi:InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
別名:LEUCINOL
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S)-2-methylbutan-1-amine
DCK
DCK
表記:(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
組成式:C7 H16 N O3
SMILES:O=C(O)CC(O)C[N+](C)(C)C
InChi:InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1
別名:D-carnitine
定義日:2010-12-09
最終更新日:2020-06-17
識別子（ID）:(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
DCQ
DCQ
表記:2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
組成式:C19 H30 O4
SMILES:O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC
InChi:InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
別名:decylubiquinone
定義日:2009-04-17
最終更新日:2020-06-17
識別子（ID）:2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
DCS
DCS
表記:D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
組成式:C11 H16 N3 O7 P
SMILES:O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1
別名:D-PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE
定義日:1999-10-28
最終更新日:2020-06-17
識別子（ID）:[5-hydroxy-6-methyl-4-({[(4R)-3-oxoisoxazolidin-4-yl]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
DCU
DCU
表記:3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM
組成式:C32 H44 N4
SMILES:c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCCCCCCCCC[N+](C)(C)C)N
InChi:InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31-24-27(34)18-20-29(31)28-19-17-26(33)23-30(28)32(35)25-15-11-10-12-16-25/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
別名:DECIDIUM
定義日:2002-12-11
最終更新日:2020-06-17
識別子（ID）:3,8-diamino-6-phenyl-5-[10-(trimethylammonio)decyl]phenanthridinium
AR1
AR1
表記:(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM
組成式:C20 H28 N11 O4
SMILES:O=C(c1nc(NC=O)cn1C)Nc3nc(C(=O)Nc2nc(C(=O)NCC[NH+](C)C)n(c2)C)n(c3)C
InChi:InChI=1S/C20H27N11O4/c1-28(2)7-6-21-18(33)15-24-13(9-30(15)4)26-20(35)17-25-14(10-31(17)5)27-19(34)16-23-12(22-11-32)8-29(16)3/h8-11H,6-7H2,1-5H3,(H,21,33)(H,22,32)(H,26,35)(H,27,34)/p+1
別名:TRI-IMIDAZOLE DNA MINOR GROOVE BINDER
定義日:1999-07-16
最終更新日:2020-06-17
識別子（ID）:2-({[4-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-N,N-dimethylethanaminium
AR3
AR3
表記:CYTARABINE
組成式:C9 H13 N3 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
別名:1-BETA-D-ARABINOFURANOSYLCYTOSINE
定義日:2003-04-29
最終更新日:2020-06-17
識別子（ID）:4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one
AR6
AR6
表記:[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
組成式:C15 H23 N5 O14 P2
SMILES:O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O
InChi:InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
別名:Adenosine-5-Diphosphoribose
定義日:2009-08-10
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
DDC
DDC
表記:7-HYDROXY-2-PHENYL-CHROMAN-4-ONE
組成式:C15 H12 O3
SMILES:O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3
InChi:InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1
別名:5,4'-DIDEOXYFLAVANONE
定義日:2000-08-30
最終更新日:2020-06-17
識別子（ID）:(2S)-7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
ARE
ARE
表記:ACARBOSE DERIVED PENTASACCHARIDE
組成式:C31 H53 N O23
SMILES:O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:InChI=1S/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
別名:4-O-(4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HE XOPYRANOSYL)HEXOPYRANOSE
定義日:2004-11-18
最終更新日:2020-06-17
識別子（ID）:4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose
DDJ
DDJ
表記:3,3'-dimethoxybiphenyl-4,4'-diamine
組成式:C14 H16 N2 O2
SMILES:O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C
InChi:InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
別名:o-Dianisidine
定義日:2011-12-12
最終更新日:2020-06-17
公開日:2012-11-30
識別子（ID）:3,3'-dimethoxybiphenyl-4,4'-diamine
DDR
DDR
表記:(2S)-3-hydroxypropane-1,2-diyl didecanoate
組成式:C23 H44 O5
SMILES:O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC
InChi:InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1
別名:1,2-DIDECANOYL-SN-GLYCEROL
定義日:2007-10-04
最終更新日:2020-06-17
識別子（ID）:(2S)-3-hydroxypropane-1,2-diyl didecanoate
ARU
ARU
表記:5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine
組成式:C15 H24 Br2 N5 O12 P3
SMILES:CCN(CC)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
別名:ARL 67156
定義日:2009-12-07
最終更新日:2020-06-17
識別子（ID）:[dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid
DDY
DDY
表記:2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE
組成式:C9 H15 N3 O9 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2
InChi:InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
別名:DDCDP
定義日:2004-04-19
最終更新日:2020-06-17
識別子（ID）:[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate
AS2
AS2
表記:(2R)-2-AMINO-4-OXOBUTANOIC ACID
組成式:C4 H7 N O3
SMILES:O=CCC(N)C(=O)O
InChi:InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
別名:ASPARTATE SEMIALDEHYDE
定義日:2003-07-10
最終更新日:2020-06-17
識別子（ID）:(2R)-2-amino-4-oxobutanoic acid
DE9
DE9
表記:3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
組成式:C30 H30 N4 O4
SMILES:O=C(O)CCC5=C(c2nc5cc1c(c(c(n1)cc4nc(cc3cc(c(c2)n3)C)C(=C4)C)C)CCC(=O)O)C
InChi:InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,32-33H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
別名:deuteroporphyrin IX
定義日:2015-01-21
最終更新日:2020-06-17
公開日:2015-05-20
識別子（ID）:3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
AS9
AS9
表記:N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID
組成式:C5 H10 N O6 P
SMILES:O=C(O)C(NP(=O)(O)C)CC(=O)O
InChi:InChI=1S/C5H10NO6P/c1-13(11,12)6-3(5(9)10)2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)(H2,6,11,12)/t3-/m0/s1
別名:N-PHOSPHONOMETHYL-L-ASPARTIC ACID
定義日:2006-12-08
最終更新日:2020-06-17
識別子（ID）:N-[(R)-hydroxy(methyl)phosphoryl]-L-aspartic acid
DEQ
DEQ
表記:DEQUALINIUM
組成式:C30 H40 N4
SMILES:c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N
InChi:InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
別名:DEQUADIN
定義日:2001-08-30
最終更新日:2020-06-17
識別子（ID）:1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium)
DEX
DEX
表記:DEXAMETHASONE
組成式:C22 H29 F O5
SMILES:O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)C=C1)CCC4C2CC3C)C)C
InChi:InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
別名:9A-FLUORO-16BETA-METHYLPREDNISOLONE
定義日:2002-07-19
最終更新日:2020-06-17
識別子（ID）:(11alpha,14beta,16alpha,17alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
DEY
DEY
表記:(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide
組成式:C23 H25 N5 O6 S2
SMILES:O=C(N)C(Oc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)c4sccc4)C
InChi:InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)/t13-/m1/s1
別名:(2R)-2-({3-[5-HYDROXY-2-(3-METHYLBUTYL)-3-OXO-6-THIOPHEN-2-YL-2,3-DIHYDROPYRIDAZIN-4-YL]-1,1-DIOXO-2H-1,2,4-BENZOTHIADI AZIN-7-YL}OXY)PROPANAMIDE
定義日:2008-01-02
最終更新日:2020-06-17
識別子（ID）:(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)propanamide
AT3
AT3
表記:ACETYLTHIOCHOLINE
組成式:C7 H16 N O S
SMILES:O=C(SCC[N+](C)(C)C)C
InChi:InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
別名:2-{[(1S)-1-HYDROXYETHYL]THIO}-N,N,N-TRIMETHYLETHANAMINIUM
定義日:2005-10-19
最終更新日:2020-06-17
識別子（ID）:2-(acetylsulfanyl)-N,N,N-trimethylethanaminium
AT5
AT5
表記:3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE
組成式:C15 H21 Cl2 N O5
SMILES:O=C(C1=C(O)C(OC)=C(OC)NC1=O)C(C)CC(C)C(Cl)CCl
InChi:InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1
別名:ATPENIN A5
定義日:2005-07-21
最終更新日:2020-06-17
識別子（ID）:3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxypyridin-2(1H)-one

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