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PC1
PC1
Name:1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C44 H88 N O8 P
SMILES:O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
Synonyms:3-SN-PHOSPHATIDYLCHOLINE
Definition date:2003-07-09
Last modified:2021-03-01
Identifier:(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
3M5
3M5
Name:3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Formula:C14 H23 N O4
SMILES:O=C1OCCC1NC(=O)CC(=O)CCCCCCC
InChi:InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
Synonyms:N-(3-Oxodecanoyl)-L-homoserine lactone
Definition date:2014-09-22
Last modified:2021-03-01
Release date:2015-02-25
Identifier:3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
TDK
TDK
Name:3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:C15 H26 N4 O11 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(P(=O)(OC)O)C
InChi:InChI=1S/C15H25N4O11P3S/c1-9-12(5-6-29-33(26,27)30-32(23,24)25)34-14(15(3,20)31(21,22)28-4)19(9)8-11-7-17-10(2)18-13(11)16/h7,20H,5-6,8H2,1-4H3,(H5-,16,17,18,21,22,23,24,25,26,27)/p+1/t15-/m0/s1
Synonyms:2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE
Definition date:2005-12-01
Last modified:2021-03-01
Identifier:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
TS2
TS2
Name:2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
Formula:C27 H47 N9 O10 S2
SMILES:O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1
InChi:InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:RING WITH GLUTATHIONE AND SPERMIDINE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)
SKA
SKA
Name:7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE
Formula:C9 H9 Cl2 N
SMILES:Clc1c(Cl)ccc2c1CNCC2
InChi:InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
Synonyms:SK&F 64139
Definition date:2005-03-02
Last modified:2021-03-01
Identifier:7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
O2Y
O2Y
Name:3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
Formula:C8 H7 N O4 S
SMILES:O=C(CSc1c(nccc1)C(=O)O)O
InChi:InChI=1S/C8H7NO4S/c10-6(11)4-14-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
Synonyms:3-(carboxymethylthio)picolinic acid
Definition date:2019-06-05
Last modified:2021-03-01
Release date:2019-09-18
Identifier:3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
TDL
TDL
Name:3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:C15 H23 N4 O10 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C
InChi:InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1
Synonyms:2-LACTYLTHIAMIN DIPHOSPHATE
Definition date:2005-12-01
Last modified:2021-03-01
Identifier:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
QLT
QLT
Name:Triethyltin bromide
Formula:C6 H15 Br Sn
SMILES:CC[Sn](Br)(CC)CC
InChi:InChI=1S/3C2H5.BrH.Sn/c3*1-2
Synonyms:bromanyl(triethyl)stannane
Definition date:2020-06-29
Last modified:2021-03-01
Release date:2020-11-18
Identifier:bromanyl(triethyl)stannane
RDF
RDF
Name:N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN
Formula:C23 H34 N3 O10 P
SMILES:O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C
InChi:InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
Synonyms:PHOSPHORAMIDON
Definition date:1999-12-17
Last modified:2021-03-01
Identifier:(2S)-2-{[(2S)-2-{[(S)-hydroxy{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid
NOG
NOG
Name:13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
Formula:C21 H28 O2
SMILES:O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4
InChi:InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Synonyms:NORGESTREL
Definition date:2002-04-29
Last modified:2021-03-01
Identifier:(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
OIN
OIN
Name:(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
Formula:C17 H23 N O3
SMILES:O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO
InChi:InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1
Synonyms:ATROPINE
Definition date:2004-06-01
Last modified:2021-03-01
Identifier:(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
TDS
TDS
Name:8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE
Formula:C25 H38 O5
SMILES:O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC
InChi:InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3
Synonyms:TRIDECYL-STIGMATELLIN
Definition date:2003-10-02
Last modified:2021-03-01
Identifier:8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one
R07
R07
Name:1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
Formula:C24 H20 F3 N3 O3 S
SMILES:C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C
InChi:InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
Synonyms:RO-7
Definition date:2017-05-11
Last modified:2021-03-01
Release date:2018-04-11
Identifier:1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
VF1
VF1
Name:(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
Formula:C28 H32 N2 O2
SMILES:C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC
InChi:InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1
Synonyms:BU72
Definition date:2020-08-05
Last modified:2021-03-01
Release date:2021-02-10
Identifier:(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
SKK
SKK
Name:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:C19 H25 N7 O2
SMILES:N#CC3N(C(=O)CNC(C)(C)CNC(=O)c1cn2nc(cc2nc1)C)CCC3
InChi:InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
Synonyms:Anagliptin
Definition date:2014-02-07
Last modified:2021-03-01
Release date:2015-07-15
Identifier:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
W71
W71
Name:5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:C20 H26 N2 O3
SMILES:N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
Synonyms:COMPOUND IV
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-{7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methylisoxazole
SKM
SKM
Name:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Formula:C7 H10 O5
SMILES:O=C(O)C1=CC(O)C(O)C(O)C1
InChi:InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
Synonyms:SHIKIMATE
Definition date:2004-08-16
Last modified:2021-03-01
Identifier:(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
TDZ
TDZ
Name:(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
Formula:C24 H27 N O5 S
SMILES:O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
InChi:InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1
Synonyms:TROGLITAZONE
Definition date:2007-07-20
Last modified:2021-03-01
Identifier:(5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
3ML
3ML
Name:[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:C7 H8 O4
SMILES:O=C1OC(C(=C1)C)CC(=O)O
InChi:InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/t5-/m0/s1
Synonyms:3-methylmuconolactone
Definition date:2009-05-14
Last modified:2021-03-01
Identifier:[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
SKP
SKP
Name:5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID
Formula:C10 H16 O14 P2
SMILES:O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C
InChi:InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1
Synonyms:5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-SHIKIMATE-3-PHOSPHATE
Definition date:2003-08-13
Last modified:2021-03-01
Identifier:(3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
VDM
VDM
Name:(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL
Formula:C14 H25 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)CC(C(O)C2O)CO
InChi:InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
Synonyms:VALIDOXYLAMINE
Definition date:2007-01-25
Last modified:2021-03-01
Identifier:(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
S5P
S5P
Name:6-sulfanyluridine-5'-phosphate
Formula:C9 H13 N2 O9 P S
SMILES:O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1
Synonyms:6-mercaptouridine-5'-monophosphate
Definition date:2008-10-23
Last modified:2021-03-01
Identifier:6-sulfanyluridine 5'-(dihydrogen phosphate)
PCO
PCO
Name:2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE
Formula:C11 H20 N2 O4 S
SMILES:O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO
InChi:InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1
Synonyms:PANTOTHENOYLAMINOETHENETHIOL
Definition date:2002-10-01
Last modified:2021-03-01
Identifier:(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide
OJ2
OJ2
Name:1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
Formula:C16 H15 F3 N2 O3
SMILES:OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2
InChi:InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23)
Synonyms:1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea
Definition date:2020-03-13
Last modified:2021-03-01
Release date:2020-10-14
Identifier:1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea
TE4
TE4
Name:Tetracaine
Formula:C15 H24 N2 O2
SMILES:O=C(OCCN(C)C)c1ccc(NCCCC)cc1
InChi:InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
Synonyms:2-(dimethylamino)ethyl 4-(butylamino)benzoate
Definition date:2014-02-11
Last modified:2021-03-01
Release date:2014-11-19
Identifier:2-(dimethylamino)ethyl 4-(butylamino)benzoate

245011

數據於2025-11-19公開中

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