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ZZ0
ZZ0
Name:2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Formula:C12 H9 Cl N2 O2
SMILES:Clc1ccc(cc1)Nc2ncccc2C(=O)O
InChi:InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
Synonyms:2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
Definition date:2009-06-30
Last modified:2021-03-01
Identifier:2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid
T98
T98
Name:5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Formula:C16 H15 N3 O S
SMILES:N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Synonyms:TANAPROGET
Definition date:2005-06-17
Last modified:2021-03-01
Identifier:5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
SFT
SFT
Name:SULFOGALACTOCERAMIDE
Formula:C48 H93 N O12 S
SMILES:O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
Synonyms:SULFATIDE
Definition date:2005-01-12
Last modified:2021-03-01
Identifier:(2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide
ZZ8
ZZ8
Name:2-(ACETYLAMINO)BENZOIC ACID
Formula:C9 H9 N O3
SMILES:O=C(Nc1ccccc1C(=O)O)C
InChi:InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
Synonyms:N-ACETYLANTHRANILATE
Definition date:2009-05-22
Last modified:2021-03-01
Identifier:2-(acetylamino)benzoic acid
QUN
QUN
Name:QUINACRINE
Formula:C23 H30 Cl N3 O
SMILES:Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC
InChi:InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1
Synonyms:6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE
Definition date:2001-08-17
Last modified:2021-03-01
Identifier:(4R)-N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine
ZIO
ZIO
Name:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE
Formula:C35 H61 N O12
SMILES:O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C
InChi:InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1
Synonyms:OLEANDOMYCIN
Definition date:2006-07-13
Last modified:2021-03-01
Identifier:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
SFY
SFY
Name:4-amino-N-(pyridin-2-yl)benzenesulfonamide
Formula:C11 H11 N3 O2 S
SMILES:O=S(=O)(Nc1ncccc1)c2ccc(N)cc2
InChi:InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
Synonyms:Sulfapyridine
Definition date:2012-11-09
Last modified:2021-03-01
Release date:2013-06-05
Identifier:4-amino-N-(pyridin-2-yl)benzenesulfonamide
ZIP
ZIP
Name:N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Formula:C10 H13 N5
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)C
InChi:InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Synonyms:ISOPENTENYLADENINE
Definition date:2004-06-23
Last modified:2021-03-01
Identifier:N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
TOF
TOF
Name:1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Formula:C7 H7 N5 O2
SMILES:O=C2N=C1C(=NC=NN1C)C(=O)N2C
InChi:InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
Synonyms:Toxoflavin
Definition date:2010-09-27
Last modified:2021-03-01
Identifier:1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
W33
W33
Name:5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:C18 H21 Cl N2 O3
SMILES:Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3
InChi:InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
Synonyms:COMPOUND VII
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
VOG
VOG
Name:(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:C10 H21 N O7
SMILES:C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
InChi:InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
Synonyms:voglibose
Definition date:2018-01-30
Last modified:2021-03-01
Release date:2018-02-28
Identifier:(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
XDM
XDM
Name:~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Formula:C17 H19 Cl N2 O2
SMILES:CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2
InChi:InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22)
Synonyms:XDM1
Definition date:2016-08-13
Last modified:2021-03-01
Release date:2017-08-16
Identifier:~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
XDN
XDN
Name:PIPERIDINE-3,4,5-TRIOL
Formula:C5 H11 N O3
SMILES:OC1CNCC(O)C1O
InChi:InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
Synonyms:XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN
Definition date:2000-08-16
Last modified:2021-03-01
Identifier:(3R,4r,5S)-piperidine-3,4,5-triol
SGF
SGF
Name:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside
Formula:C24 H47 N O10 S
SMILES:O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22+,23-,24+/m0/s1
Synonyms:Sphingosine-1-galactoside-3-sulfate
Definition date:2012-05-11
Last modified:2021-03-01
Release date:2013-02-01
Identifier:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside
RNH
RNH
Name:(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Formula:C16 H32 N2 O4
SMILES:O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO
InChi:InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
Synonyms:N-heptylpantothenamide
Definition date:2011-07-05
Last modified:2021-03-01
Identifier:(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
QV8
QV8
Name:9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Formula:C20 H13 N O5 S
SMILES:O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4
InChi:InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)
Synonyms:Acid blue 25
Definition date:2011-03-04
Last modified:2021-03-01
Identifier:9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
TOR
TOR
Name:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Formula:C12 H21 N O8 S
SMILES:O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N
InChi:InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Synonyms:topiramate
Definition date:2009-06-03
Last modified:2021-03-01
Identifier:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)
B31
B31
Name:(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
Formula:C21 H41 N5 O12
SMILES:O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN
InChi:InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
Synonyms:Butirosin A
Definition date:2009-05-10
Last modified:2021-03-01
Identifier:(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
XRA
XRA
Name:2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Formula:C19 H21 N5 O4
SMILES:O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4
InChi:InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Synonyms:Prazosin
Definition date:2010-09-24
Last modified:2021-03-01
Identifier:[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone
B32
B32
Name:5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
Formula:C22 H38 N6 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N
InChi:InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
Synonyms:S-adenosyl-N-decyl-aminoethyl (SADAE)
Definition date:2009-05-04
Last modified:2021-03-01
Identifier:5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
U3D
U3D
Name:[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Formula:C46 H88 N O8 P
SMILES:C(C=[C@H]CCCCCCCC)CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1
Synonyms:[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-icos-11-enoate
Definition date:2020-04-13
Last modified:2021-03-01
Release date:2020-07-01
Identifier:(2R)-3-{[(11Z)-icos-11-enoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
R9T
R9T
Name:(1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Formula:C20 H25 N O4
SMILES:COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC
InChi:InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m1/s1
Synonyms:R-Tetrahydropapaverine
Definition date:2016-07-11
Last modified:2021-03-01
Release date:2016-09-07
Identifier:(1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
UVP
UVP
Name:1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium
Formula:C11 H16 N2 O8 P
SMILES:O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O
InChi:InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1
Synonyms:uridine vinyl phosphonate
Definition date:2016-11-15
Last modified:2021-03-01
Release date:2016-12-14
Identifier:1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium
WJP
WJP
Name:methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
Formula:C26 H48 O7 P2
SMILES:CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O
InChi:InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1
Synonyms:dolichol-pp
Definition date:2020-10-30
Last modified:2021-03-01
Release date:2020-11-11
Identifier:methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
S2A
S2A
Name:(1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE
Formula:C33 H33 N O6
SMILES:O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C(O)C2NC)C)c4cc3ccccc3cc4C56
InChi:InChI=1S/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3/t17-,22-,27+,28-,29+,30-,31+,32-,33-/m1/s1
Synonyms:SPIROCYCLIC ALKENE
Definition date:2007-01-10
Last modified:2021-03-01
Identifier:(1R,3a'S,10'S,10a'R)-7-methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside

245663

數據於2025-12-03公開中

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