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BRE
BRE
Name:2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
Formula:C23 H16 F N O2
SMILES:Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4
InChi:InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
Synonyms:BREQUINAR ANALOG
Definition date:1999-10-01
Last modified:2020-06-17
Identifier:2-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid
BRL
BRL
Name:2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
Formula:C18 H19 N3 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3
InChi:InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1
Synonyms:BRL49653
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(5S)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione
BRN
BRN
Name:BERENIL
Formula:C14 H15 N7
SMILES:N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
Synonyms:DIMINAZINE ACETURATE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide
BRS
BRS
Name:2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
Formula:C14 H11 Cl N2 O5
SMILES:Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C
InChi:InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1
Synonyms:DNP-19
Definition date:2001-12-07
Last modified:2020-06-17
Identifier:2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol
BRV
BRV
Name:5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
Formula:C8 H4 Br3 N O4
SMILES:Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
InChi:InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
Synonyms:5-Amino-2,4,6-tribromoisophthalic acid
Definition date:2009-03-30
Last modified:2020-06-17
Identifier:5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
BRW
BRW
Name:6-BROMOINDIRUBIN-3'-OXIME
Formula:C16 H10 Br N3 O2
SMILES:Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4
InChi:InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
Synonyms:(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
Definition date:2004-01-14
Last modified:2020-06-17
Identifier:(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
TXC
TXC
Name:2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
Formula:C13 H20 N6 O4
SMILES:O=C2NC(=Nc1c2ncn1COCCOC(=O)C(N)C(C)C)N
InChi:InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
Synonyms:Valacyclovir
Definition date:2012-04-18
Last modified:2020-06-17
Identifier:2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
TXE
TXE
Name:[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Formula:C21 H31 N7 O14 P2
SMILES:NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Definition date:2013-10-31
Last modified:2020-06-17
Release date:2014-10-29
Identifier:[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
TXQ
TXQ
Name:1,2,5,8-tetrahydroxyanthracene-9,10-dione
Formula:C14 H8 O6
SMILES:O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
InChi:InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Synonyms:1,2,5,8-tetrahydroxy-anthraquinone
Definition date:2008-12-22
Last modified:2020-06-17
Identifier:1,2,5,8-tetrahydroxyanthracene-9,10-dione
TXS
TXS
Name:1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:C14 H21 N3 O4
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3
InChi:InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
Synonyms:5'-deoxy-5'-pyrrolidin-1-ylthymidine
Definition date:2008-05-28
Last modified:2020-06-17
Identifier:1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
TY0
TY0
Name:(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
Formula:C14 H21 N O3
SMILES:O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1
InChi:InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1
Synonyms:Z-Phe-Tyr(OBut)-COCHO
Definition date:2010-11-01
Last modified:2020-06-17
Identifier:(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
BST
BST
Name:6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Formula:C17 H28 N8 O6
SMILES:O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1
Synonyms:TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
Definition date:2004-07-30
Last modified:2020-06-17
Identifier:(4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
BSU
BSU
Name:1,3-DIPHENYLUREA
Formula:C13 H12 N2 O
SMILES:O=C(Nc1ccccc1)Nc2ccccc2
InChi:InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
Synonyms:DIPHENYLCARBAMIDE
Definition date:2001-05-22
Last modified:2020-06-17
Identifier:1,3-diphenylurea
BT8
BT8
Name:3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
Formula:C21 H26 N4 O3
SMILES:n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4
InChi:InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
Synonyms:BTA798
Definition date:2012-01-05
Last modified:2020-06-17
Release date:2012-09-07
Identifier:3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
BTB
BTB
Name:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Formula:C8 H19 N O5
SMILES:OCCN(C(CO)(CO)CO)CCO
InChi:InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
Synonyms:BIS-TRIS BUFFER
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
BTQ
BTQ
Name:EPI-BIOTIN
Formula:C10 H16 N2 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1
Synonyms:5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Definition date:2005-11-17
Last modified:2020-06-17
Identifier:5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
BTW
BTW
Name:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
Formula:C11 H14 O2 S
SMILES:O=C(O)C(C(S)C)Cc1ccccc1
InChi:InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
Synonyms:(2S,3R)-2-benzyl-3-mercaptobutanoic acid
Definition date:2009-07-09
Last modified:2020-06-17
Identifier:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
H8D
H8D
Name:(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
Formula:C20 H25 N3 O2
SMILES:c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4
InChi:InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Synonyms:methylergonovine
Definition date:2018-06-15
Last modified:2020-06-17
Release date:2018-08-29
Identifier:(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
H97
H97
Name:(1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
Formula:C31 H44 F6 O4
SMILES:FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F
InChi:InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1
Synonyms:1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero l (Gemini--0097)
Definition date:2010-07-22
Last modified:2020-06-17
Identifier:(1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol
BV3
BV3
Name:1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE
Formula:C63 H91 N15 O26
SMILES:O=[N+]([O-])c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4NCCNC(=O)OCC(N)COC(=O)NCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)c8
InChi:InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t37?,42-,43?,48+,49?,54+,55?,56-,57?,60+,61?/m1/s1
Synonyms:BV3
Definition date:2003-11-24
Last modified:2020-06-17
Identifier:2-amino-3-{[(2-{[2-({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamate (non-preferred name)
BVP
BVP
Name:(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C11 H14 Br N2 O8 P
SMILES:Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1
Synonyms:BVDU-MP
Definition date:2003-03-31
Last modified:2020-06-17
Identifier:5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
BW2
BW2
Name:N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
Formula:C20 H19 N5 O8 S
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)
Synonyms:BW2315U89UC
Definition date:2003-06-12
Last modified:2020-06-17
Identifier:N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid
HAG
HAG
Name:4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL
Formula:C19 H33 N3 O8 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC
InChi:InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1
Synonyms:GSHNA
Definition date:1999-07-27
Last modified:2020-06-17
Identifier:L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine
BWD
BWD
Name:2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:C7 H8 Br N3 O4
SMILES:O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O
InChi:InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:BROMO-WILLARDIINE
Definition date:2002-09-19
Last modified:2020-06-17
Identifier:3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
BWU
BWU
Name:Tetraphenylporphycene contating cobalt
Formula:C44 H28 Co N4
SMILES:[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10
InChi:InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30
Synonyms:Co-9,10,19,20-Tetraphenylporphycene
Definition date:2019-03-25
Last modified:2020-06-17
Release date:2020-03-11

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건을2024-07-17부터공개중

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