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IZN
IZN
Name:(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
Formula:C16 H21 N O3
SMILES:O=C1OCC3=C(C1)C42C(=CCC(OC)C2)CCN4CC3
InChi:InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
Synonyms:(2S,13bS)-2-Methoxy-2,3,5,6,8,9,10,13-octahydro-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one
Definition date:2012-03-06
Last modified:2020-06-17
Release date:2012-08-24
Identifier:(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
DSA
DSA
Name: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
Formula: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
Synonyms:(+)DUOCARMYCIN SA
Definition date:1999-07-08
Last modified:2020-06-17
Identifier: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
J01
J01
Name:(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:C8 H9 N O5
SMILES:O=C2N1C(C(/OC1C2)=C/CO)C(=O)O
InChi:InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
Synonyms:CLAVULANIC ACID
Definition date:2006-11-29
Last modified:2020-06-17
Identifier:(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
DSI
DSI
Name:4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
Formula: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
Synonyms:(+)DUOCARMYCIN SA-INDOLE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:methyl (8S)-4-hydroxy-6-(1H-indol-2-ylcarbonyl)-8-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
J0D
J0D
Name:1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium
Formula:C19 H17 N2 S
SMILES:CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C
InChi:InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1
Synonyms:Thiazole orange
Definition date:2018-08-01
Last modified:2020-06-17
Release date:2019-07-31
Identifier:1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium
J0M
J0M
Name:D-galactonic acid
Formula:C6 H12 O7
SMILES:C(C(C(C(CO)O)O)O)(O)C(O)=O
InChi:InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
Synonyms:D-galactonate
Definition date:2018-08-02
Last modified:2020-06-17
Release date:2019-05-22
Identifier:D-galactonic acid
DTA
DTA
Name:(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]
Formula: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
Synonyms:DI-(5'-THIOADENOSINE)
Definition date:2006-08-17
Last modified:2020-06-17
Identifier:(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
Name:BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
Formula: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+
Synonyms:DICOUMAROL
Definition date:2003-03-11
Last modified:2020-06-17
Identifier:(3R,3'S)-3,3'-methanediylbis(2H-chromene-2,4(3H)-dione)
J11
J11
Name:N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Formula:C21 H30 F N5
SMILES:Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m0/s1
Synonyms:N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Definition date:2009-09-23
Last modified:2020-06-17
Identifier:N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
DTS
DTS
Name:2-{[(S)-phenylsulfinyl]methyl}benzoic acid
Formula:C14 H12 O3 S
SMILES:c1cc(ccc1)S(Cc2ccccc2C(=O)O)=O
InChi:InChI=1S/C14H12O3S/c15-14(16)13-9-5-4-6-11(13)10-18(17)12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)/t18-/m0/s1
Synonyms:2-{[(S)-benzenesulfinyl]methyl}benzoic acid
Definition date:2017-11-06
Last modified:2020-06-17
Release date:2018-11-07
Identifier:2-{[(S)-phenylsulfinyl]methyl}benzoic acid
DUC
DUC
Name:DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C4 H6 N2 O2
SMILES:O=C1NC(=O)NCC1
InChi:InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
Synonyms:DIHYDROURACIL
Definition date:2003-03-18
Last modified:2020-06-17
Identifier:dihydropyrimidine-2,4(1H,3H)-dione
J2B
J2B
Name:O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate
Formula:C20 H28 N10 O12 P2 S2
SMILES:C3(C(C(n2c1c(C(N=C(N1)N)=O)nc2)OC3CO)OP(OCCC(C(C(n5c4c(c(ncn4)N)nc5)O)O)OP(=O)(O)S)(=O)S)O
InChi:InChI=1S/C20H28N10O12P2S2/c21-14-9-15(24-4-23-14)29(5-25-9)18(35)12(33)7(41-43(36,37)45)1-2-39-44(38,46)42-13-11(32)8(3-31)40-19(13)30-6-26-10-16(30)27-20(22)28-17(10)34/h4-8,11-13,18-19,31-33,35H,1-3H2,(H,38,46)(H2,21,23,24)(H2,36,37,45)(H3,22,27,28,34)/t7-,8-,11-,12-,13-,18-,19-,44+/m1/s1
Synonyms:cleaved nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP
Definition date:2018-08-30
Last modified:2020-06-17
Release date:2019-02-06
Identifier:O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name)
DUQ
DUQ
Name:(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide
Formula:C30 H31 N3 O5
SMILES:OCCNC(=O)[CH](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O
InChi:InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37)/t23-/m0/s1
Synonyms:5'-TRITYLATED DEOXYURIDINE ANALOGUE
Definition date:2011-02-04
Last modified:2020-06-17
Identifier:(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide
DUS
DUS
Name:2'-deoxy-5'-O-sulfouridine
Formula:C9 H12 N2 O8 S
SMILES:O=S(OCC1C(O)CC(O1)N2C=CC(=O)NC2=O)(=O)O
InChi:InChI=1S/C9H12N2O8S/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H,15,16,17)/t5-,6+,8+/m0/s1
Synonyms:2'-deoxyuridine-5'-monosulfate
Definition date:2016-03-09
Last modified:2020-06-17
Release date:2016-06-08
Identifier:2'-deoxy-5'-O-sulfouridine
DVP
DVP
Name:METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE
Formula:C21 H24 N8 O3
SMILES:O=C(c3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)N4CCC(C(=O)OC)CC4
InChi:InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)
Synonyms:1-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYL}-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER
Definition date:2005-08-31
Last modified:2020-06-17
Identifier:methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]piperidine-4-carboxylate
DW0
DW0
Name:1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
Formula:C17 H20 N8 O4
SMILES:O=C2c1n(cnc1N(C(=O)N2CCCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C
InChi:InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
Synonyms:BISDIONIN C
Definition date:2011-03-10
Last modified:2020-06-17
Identifier:1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
DX5
DX5
Name:D-XYLITOL-5-PHOSPHATE
Formula:C5 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CO
InChi:InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1
Synonyms:D-HYLITOL-5-PHOSPHATE
Definition date:2006-01-24
Last modified:2020-06-17
Identifier:5-O-phosphono-D-xylitol
DXC
DXC
Name:(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
Formula:C24 H40 O4
SMILES:O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
InChi:InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Synonyms:DEOXYCHOLIC ACID
Definition date:2000-06-26
Last modified:2020-06-17
Identifier:(3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid
DXL
DXL
Name:D-xylaric acid
Formula:C5 H8 O7
SMILES:O=C(O)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+
Synonyms:m-Xylarate
Definition date:2010-09-27
Last modified:2020-06-17
Identifier:D-xylaric acid
J71
J71
Name:4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Formula:C12 H13 N5 O5 S
SMILES:O=S(=O)(N)c1ccc(cc1)CNc2ncnc(OC)c2[N+]([O-])=O
InChi:InChI=1S/C12H13N5O5S/c1-22-12-10(17(18)19)11(15-7-16-12)14-6-8-2-4-9(5-3-8)23(13,20)21/h2-5,7H,6H2,1H3,(H2,13,20,21)(H,14,15,16)
Synonyms:4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:2010-04-22
Last modified:2020-06-17
Identifier:4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
J76
J76
Name:(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide
Formula:C33 H56 N2 O10
SMILES:CCCCCCCC(NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2ccc(cc2)CCCCC)=O
InChi:InChI=1S/C33H56N2O10/c1-3-5-7-8-10-14-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)13-11-15-27(38)34-23-18-16-22(17-19-23)12-9-6-4-2/h16-19,24-26,29-33,36-37,40-43H,3-15,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1
Synonyms:aGSA[8,P5p]
Definition date:2018-01-19
Last modified:2020-06-17
Release date:2019-01-30
Identifier:(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
J78
J78
Name:(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE
Formula:C22 H29 N3 O3
SMILES:O=C(OCC)c3ccc(OCCCC2CCN(c1nnc(cc1)C)CC2)cc3
InChi:InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3
Synonyms:R78206
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:ethyl 4-{3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy}benzoate
GEK
GEK
Name:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
Formula:C16 H22 N6 O7 S
SMILES:[O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1
Synonyms:CARBOXY-S-ADENOSYLMETHIONINE
Definition date:2012-08-29
Last modified:2020-06-17
Identifier:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate
GEM
GEM
Name:(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID
Formula:C7 H13 N3 O4 S
SMILES:O=C(O)C(SCCNC(=[N@H])N)CC(=O)O
InChi:InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
Synonyms:2-GUANIDINOETHYLTHIO)SUCCINIC ACID
Definition date:2001-02-12
Last modified:2020-06-17
Identifier:(2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid
GEN
GEN
Name:GENISTEIN
Formula:C15 H10 O5
SMILES:O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O
InChi:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Synonyms:5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Definition date:1999-07-28
Last modified:2020-06-17
Identifier:5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

245011

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