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MCG
MCG
Name:(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE
Formula:C10 H11 N O4
SMILES:O=C(O)C(N)(c1ccc(C(=O)O)cc1)C
InChi:InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
Synonyms:4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID
Definition date:2002-01-07
Last modified:2021-03-01
Identifier:4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
CN3
CN3
Name:(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
Formula:C36 H68 O17 P2
SMILES:O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CC)O)COC(=O)CCCCCCCCCC)CCCCCCCC
InChi:InChI=1S/C36H68O17P2/c1-5-9-11-13-15-16-18-19-22-34(39)47-27-32(53-36(41)23-20-17-14-12-10-6-2)29-51-55(44,45)49-25-30(37)24-48-54(42,43)50-28-31(26-46-33(38)8-4)52-35(40)21-7-3/h30-32,37H,5-29H2,1-4H3,(H,42,43)(H,44,45)/t30-,31-,32-/m1/s1
Synonyms:CARDIOLIPIN
Definition date:2008-04-30
Last modified:2021-03-01
Identifier:(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
CN5
CN5
Name:(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
Formula:C26 H52 O13 P2
SMILES:O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C26H52O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(29)35-19-16-21-37-41(32,33)39-23-25(28)22-38-40(30,31)36-20-15-18-34-24(2)27/h25,28H,3-23H2,1-2H3,(H,30,31)(H,32,33)/t25-/m0/s1
Synonyms:CARDIOLIPIN
Definition date:2008-04-28
Last modified:2021-03-01
Identifier:(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
MD2
MD2
Name:N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE
Formula:C12 H20 N2
SMILES:C(=CCNCCCCNC/C=C=C)=C
InChi:InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
Synonyms:MDL72527
Definition date:1999-08-03
Last modified:2021-03-01
Identifier:N,N'-dibuta-2,3-dien-1-ylbutane-1,4-diamine
CNQ
CNQ
Name:3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
Formula:C15 H10 Cl N3 O
SMILES:Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3
InChi:InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
Synonyms:2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
Definition date:2004-08-25
Last modified:2021-03-01
Identifier:3-(4-chlorophenyl)quinoxaline-5-carboxamide
CNR
CNR
Name:(2S)-2-CHLOROPROPANOIC ACID
Formula:C3 H5 Cl O2
SMILES:ClC(C(=O)O)C
InChi:InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
Synonyms:2-MONOCHLOROPRAPANATE
Definition date:2006-10-27
Last modified:2021-03-01
Identifier:(2S)-2-chloropropanoic acid
CNY
CNY
Name:13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE
Formula:C23 H44 N6 O12
SMILES:O1C(CN)C(O)C(O)C2NCC5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(CN)C(O)C(O)C4N
InChi:InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Synonyms:CYCLIC NEOMYCIN
Definition date:2005-06-24
Last modified:2021-03-01
Identifier:(2R,3S,4R,4aR,7R,8S,9R,10S,11aR,12S,13R,15S,15aR,16aR)-13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2H-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxy-beta-L-idopyranoside
CO6
CO6
Name:ISOBUTYRYL-COENZYME A
Formula:C25 H42 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)C
InChi:InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
Synonyms:IB-CO6
Definition date:2006-10-11
Last modified:2021-03-01
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylpropanethioate (non-preferred name)
COU
COU
Name:COUMARIN
Formula:C9 H6 O2
SMILES:O=C2Oc1ccccc1C=C2
InChi:InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
Synonyms:2H-1-BENZOPYRAN-2-ONE
Definition date:2005-03-09
Last modified:2021-03-01
Identifier:2H-chromen-2-one
MEI
MEI
Name:(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID
Formula:C16 H28 O3
SMILES:O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C
InChi:InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
Synonyms:METOPRENIC ACID
Definition date:2003-08-26
Last modified:2021-03-01
Identifier:(2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
MEM
MEM
Name:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Formula:C17 H25 N3 O5 S
SMILES:O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3
InChi:InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
Synonyms:Meropenem (closed form)
Definition date:2012-04-30
Last modified:2021-03-01
Identifier:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CPB
CPB
Name:2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE
Formula:C21 H20 Cl N O5
SMILES:Clc4ccccc4C=2Oc1c(c(O)cc(O)c1C(=O)C=2)C3CCN(C)CC3O
InChi:InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
Synonyms:FLAVOPIRIDOL
Definition date:2000-05-11
Last modified:2021-03-01
Identifier:2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one
MF4
MF4
Name:TETRAFLUOROMAGNESATE(2-)
Formula:F4 Mg
SMILES:F[Mg-2](F)(F)F
InChi:InChI=1S/4FH.Mg/h4*1H
Synonyms:MAGNESIUMTETRAFLUORIDE
Definition date:2004-09-05
Last modified:2021-03-01
Identifier:tetrafluoromagnesate(2-)
MF5
MF5
Name:1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
Formula:C14 H10 F5 N2 O
SMILES:Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C
InChi:InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+
Synonyms:methyl2-(pentafluorobenzyloxyimino)pyridinium
Definition date:2012-07-04
Last modified:2021-03-01
Release date:2012-08-24
Identifier:1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium
CPL
CPL
Name:1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C42 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
InChi:InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
Synonyms:PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
Definition date:2002-05-10
Last modified:2021-03-01
Identifier:(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
CPQ
CPQ
Name:N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
Formula:C42 H75 N3 O15
SMILES:O=C(NCCCN(C(=O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C)CCCNC(=O)C(O)C(O)C(O)C(O)CO)C(O)C(O)C(O)C(O)CO
InChi:InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
Synonyms:DEOXY-BIGCHAP
Definition date:2001-03-30
Last modified:2021-03-01
Identifier:(2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)
CPT
CPT
Name:Cisplatin
Formula:Cl2 H6 N2 Pt
SMILES:[Pt](N)(N)(Cl)Cl
InChi:InChI=1S/2ClH.2H3N.Pt/h2*1H
Synonyms:diammine(dichloro)platinum
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:diammine(dichloro)platinum
MFX
MFX
Name:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:C21 H24 F N3 O4
SMILES:Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5
InChi:InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
Synonyms:moxifloxacin
Definition date:2009-01-15
Last modified:2021-03-01
Identifier:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
MG0
MG0
Name:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Formula:C18 H18 F6 N4 O3 S
SMILES:O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChi:InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
Synonyms:AMG-5980
Definition date:2013-10-02
Last modified:2021-03-01
Release date:2014-05-07
Identifier:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CQL
CQL
Name:5-chloro-7-iodoquinolin-8-ol
Formula:C9 H5 Cl I N O
SMILES:Ic1c(O)c2ncccc2c(Cl)c1
InChi:InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Synonyms:Clioquinol
Definition date:2009-10-28
Last modified:2021-03-01
Identifier:5-chloro-7-iodoquinolin-8-ol
MGD
MGD
Name:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
Formula:C20 H26 N10 O13 P2 S2
SMILES:O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
Synonyms:MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
MGJ
MGJ
Name:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
Formula:C20 H27 N5 O4
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2
InChi:InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1
Synonyms:[{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
Definition date:2011-04-19
Last modified:2021-03-01
Release date:2013-08-28
Identifier:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
MGK
MGK
Name:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
Formula:C20 H26 N4 O5
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2
InChi:InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1
Synonyms:((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester
Definition date:2011-04-19
Last modified:2021-03-01
Release date:2013-04-03
Identifier:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
MGZ
MGZ
Name:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
Formula:C15 H10 Cl F3 O3
SMILES:Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1
Synonyms:Metaglidasen
Definition date:2014-04-08
Last modified:2021-03-01
Release date:2015-02-11
Identifier:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
MHA
MHA
Name:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID
Formula:C6 H10 N2 O5
SMILES:O=C(O)CN(CC(=O)N)CC(=O)O
InChi:InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
Synonyms:N-(2-ACETAMIDO)IMINODIACETIC ACID
Definition date:2002-06-18
Last modified:2021-03-01
Identifier:2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid

238582

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