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MOX
MOX
Name:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
Formula:C18 H18 N2 O9
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1
Synonyms:MOXALACTAM DERIVATIVE (open form)
Definition date:2000-08-11
Last modified:2021-03-01
Identifier:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
MPH
MPH
Name:(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID
Formula:C4 H12 N O3 P S
SMILES:O=P(O)(O)C(N)CCSC
InChi:InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
Synonyms:METHIONINE PHOSPHONATE
Definition date:1999-07-28
Last modified:2021-03-01
Identifier:[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphonic acid
AA2
AA2
Name:4-ARYL-2-PHENYLAMINO PYRIMIDINE
Formula:C25 H30 Cl N5 O
SMILES:Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C
InChi:InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
Synonyms:4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE
Definition date:2003-03-24
Last modified:2021-03-01
Identifier:4-[4-(1-amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
MQA
MQA
Name:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Formula:C16 H19 N3 O6
SMILES:O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N
InChi:InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
Synonyms:Mitomycin A
Definition date:2009-04-06
Last modified:2021-03-01
Identifier:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
AAI
AAI
Name:trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium
Formula:C16 H22 N4 O
SMILES:O=C(N)c1cccc2nc(nc12)C3CCN(CCC)CC3
InChi:InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)
Synonyms:2-(1-Propyl-piperidin-4-yl)-1H-benzoimidazole-4-carboxylic acid amide
Definition date:2007-10-18
Last modified:2021-03-01
Identifier:2-(1-propylpiperidin-4-yl)-1H-benzimidazole-7-carboxamide
AAY
AAY
Name:8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE
Formula:C37 H49 N O6
SMILES:O=C(OC1C2C(=CC(C)C1)C=CC(C)C2CCC3N(C(=O)CC(O)C3)Cc4ccc5c(c4)ccc(OC)c5CO)C(C)CC
InChi:InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28-,29+,30-,34-,36-/m0/s1
Synonyms:LFA703
Definition date:2004-09-07
Last modified:2021-03-01
Identifier:(1S,3R,7S,8S,8aR)-8-{2-[(2S,4R)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methyl}-6-oxopiperidin-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
AB0
AB0
Name:3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13-PENTADEOXY-4-O-(METHOXYMETHYL)-L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID
Formula:C16 H24 O8
SMILES:O=C(O)CC2OC1C(O)C3OCC=CCC3OC1CC2OCOC
InChi:InChI=1S/C16H24O8/c1-20-8-22-10-6-12-16(24-11(10)7-13(17)18)14(19)15-9(23-12)4-2-3-5-21-15/h2-3,9-12,14-16,19H,4-8H2,1H3,(H,17,18)/t9-,10-,11+,12+,14+,15-,16+/m0/s1
Synonyms:CIGUATOXIN ABC RING FRAGMENT
Definition date:2006-11-21
Last modified:2021-03-01
Identifier:3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid
MRI
MRI
Name:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Formula:C15 H10 O7
SMILES:Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
InChi:InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Synonyms:Morin
Definition date:2015-06-17
Last modified:2021-03-01
Release date:2015-10-07
Identifier:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
ABM
ABM
Name:METHYL PHOSPHONIC ACID ADENOSINE ESTER
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C
InChi:InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Synonyms:ALPHA-METHYLENE ADENOSINE MONOPHOSPHATE
Definition date:1999-12-16
Last modified:2021-03-01
Identifier:5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine
AC0
AC0
Name:1-PHENYLETHANONE
Formula:C8 H8 O
SMILES:O=C(c1ccccc1)C
InChi:InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
Synonyms:ACETOPHENONE
Definition date:2005-05-10
Last modified:2021-03-01
Identifier:1-phenylethanone
MS3
MS3
Name:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
Formula:C42 H52 N6 O8
SMILES:O=C(NCc1ncccc1)C(NC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC(C(=O)NCc4ncccc4)C(C)C)C(C)C
InChi:InChI=1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
Synonyms:INHIBITOR MSA367
Definition date:2000-03-13
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(1S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]propyl}hexanediamide (non-preferred name)
MSC
MSC
Name:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
Formula:C36 H36 Cl F N2 O7
SMILES:Fc1cccc(Cl)c1CNC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O
InChi:InChI=1S/C36H36ClFN2O7/c37-27-16-9-17-28(38)26(27)19-39-35(44)33(46-20-22-10-3-1-4-11-22)31(42)32(43)34(47-21-23-12-5-2-6-13-23)36(45)40-30-25-15-8-7-14-24(25)18-29(30)41/h1-17,29-34,41-43H,18-21H2,(H,39,44)(H,40,45)/t29-,30+,31-,32-,33-,34-/m1/s1
Synonyms:INHIBITOR MSL370
Definition date:1999-10-05
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
MSL
MSL
Name:(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID
Formula:C5 H12 N2 O3 S
SMILES:O=S(=N)(C)CCC(C(=O)O)N
InChi:InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1
Synonyms:METHIONINE SULFOXIMINE
Definition date:2005-09-27
Last modified:2021-03-01
Identifier:(2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid
MSZ
MSZ
Name:(2S)-(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-/m0/s1
Synonyms:Metaglidasen (S enantiomer)
Definition date:2014-04-09
Last modified:2021-03-01
Release date:2015-02-11
Identifier:(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
MT1
MT1
Name:N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Formula:C20 H23 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)[nH+]c(nc3N)N)CCC(=O)O
InChi:InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p+1/t13-/m0/s1
Synonyms:METHOTREXATE PROTONATED AT N1
Definition date:2006-10-25
Last modified:2021-03-01
Identifier:N-[(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
AD4
AD4
Name:(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE
Formula:C47 H75 N O14
SMILES:O=C(OC(C)(C)C)NCCCCCCCCCCCC(=O)OC2CC(OC(=O)C)(C1C(=C(C(OC(=O)C(=C/C)C)C1OC(=O)CCCCCCC)C)C3OC(=O)C(O)(C)C23O)C
InChi:InChI=1S/C47H75NO14/c1-11-13-14-20-23-27-35(51)58-39-37-36(31(4)38(39)59-41(52)30(3)12-2)40-47(56,46(10,55)42(53)60-40)33(29-45(37,9)61-32(5)49)57-34(50)26-24-21-18-16-15-17-19-22-25-28-48-43(54)62-44(6,7)8/h12,33,37-40,55-56H,11,13-29H2,1-10H3,(H,48,54)/b30-12-/t33-,37+,38-,39-,40-,45-,46+,47+/m0/s1
Synonyms:((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:2006-10-19
Last modified:2021-03-01
Identifier:(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate
MT9
MT9
Name:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
Formula:C25 H43 N O7
SMILES:O=C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C
InChi:InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1
Synonyms:methymycin
Definition date:2009-04-22
Last modified:2021-03-01
Identifier:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
MTH
MTH
Name:2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C12 H16 N4 O3 S
SMILES:S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1
Synonyms:5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
ADK
ADK
Name:3-METHYL-3H-PURIN-6-YLAMINE
Formula:C6 H7 N5
SMILES:N=1C2=C(N=CN(C2=NC=1)C)N
InChi:InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
Synonyms:3-METHYLADENINE
Definition date:2003-05-06
Last modified:2021-03-01
Identifier:3-methyl-3H-purin-6-amine
ADL
ADL
Name:(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Formula:C16 H12 O5
SMILES:O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3
InChi:InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)
Synonyms:ACETYL DITHRANOL
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:(1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid
MTN
MTN
Name:S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:C10 H18 N O3 S2
SMILES:ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
InChi:InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
Synonyms:MTSL
Definition date:2003-12-10
Last modified:2021-03-01
Identifier:S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
MTP
MTP
Name:2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C11 H14 N4 O4 S
SMILES:n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Synonyms:9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Definition date:2003-06-23
Last modified:2021-03-01
Identifier:6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine
ADT
ADT
Name:3'-DEOXY-3'-ACETAMIDO-THYMIDINE
Formula:C12 H17 N3 O5
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(NC(=O)C)C2)CO
InChi:InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1
Synonyms:((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3'-(acetylamino)-3'-deoxythymidine
ADU
ADU
Name:3'-DEOXY-3'-ACETAMIDO-URIDINE
Formula:C11 H15 N3 O6
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO
InChi:InChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1
Synonyms:((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3'-(acetylamino)-3'-deoxyuridine
MUC
MUC
Name:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:C6 H6 O4
SMILES:O=C(O)CC1OC(=O)C=C1
InChi:InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
Synonyms:muconolactone
Definition date:2008-06-15
Last modified:2021-03-01
Identifier:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

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數據於2024-07-17公開中

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