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PVK
PVK
Name:(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
Formula:C9 H11 N3 O5
SMILES:N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
InChi:InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Synonyms:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
Definition date:2020-04-28
Last modified:2020-06-17
Release date:2020-06-03
Identifier:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid
PWK
PWK
Name:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
Formula:C20 H26 O4
SMILES:Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2
InChi:InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
Synonyms:Dihydroguaiaretic acid
Definition date:2014-04-02
Last modified:2020-06-17
Release date:2014-11-26
Identifier:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
PXB
PXB
Name:parecoxib
Formula:C19 H18 N2 O4 S
SMILES:O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC
InChi:InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
Synonyms:N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide
Definition date:2008-06-17
Last modified:2020-06-17
Identifier:N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide
PXD
PXD
Name:2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Formula:C16 H14 F5 N5 O5 S
SMILES:FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2
InChi:InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Synonyms:Penoxsulam
Definition date:2014-06-05
Last modified:2020-06-17
Release date:2018-02-14
Identifier:2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
PXE
PXE
Name:2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
Formula:C10 H13 N O2
SMILES:O=C1C=C(C(=NO)C=C1C(C)C)C
InChi:InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+
Synonyms:(E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone
Definition date:2010-04-12
Last modified:2020-06-17
Identifier:(4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
PXM
PXM
Name:4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL
Formula:C8 H12 N2 O2
SMILES:Oc1c(c(cnc1C)CO)CN
InChi:InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
Synonyms:PYRIDOXAMINE
Definition date:2003-11-13
Last modified:2020-06-17
Identifier:4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PXN
PXN
Name:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
Formula:C17 H36 O8
SMILES:O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1
Synonyms:PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
Definition date:2010-04-21
Last modified:2020-06-17
Identifier:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
PY5
PY5
Name:2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID
Formula:C13 H21 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC
InChi:InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
Synonyms:VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID
Definition date:1999-08-18
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norvaline
PY6
PY6
Name:2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID
Formula:C14 H23 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC
InChi:InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1
Synonyms:VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID
Definition date:1999-08-18
Last modified:2020-06-17
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norleucine
PY7
PY7
Name:PYRIDIN-4-YLMETHANOL
Formula:C6 H7 N O
SMILES:OCc1ccncc1
InChi:InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
Synonyms:4-PYRIDYLCARBINOL
Definition date:2005-11-08
Last modified:2020-06-17
Identifier:pyridin-4-ylmethanol
PYF
PYF
Name:3-PYRIDINYLCARBINOL
Formula:C6 H7 N O
SMILES:OCc1cccnc1
InChi:InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
Synonyms:PYRIDIN-3-YLMETHANOL
Definition date:2003-09-29
Last modified:2020-06-17
Identifier:pyridin-3-ylmethanol
PYV
PYV
Name:4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Formula:C16 H13 Br N2 O2 S
SMILES:Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3
InChi:InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
Synonyms:Pyrabactin
Definition date:2010-06-09
Last modified:2020-06-17
Identifier:4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
PZH
PZH
Name:1-(4-BROMOPHENYL)METHANAMINE
Formula:C7 H8 Br N
SMILES:Brc1ccc(cc1)CN
InChi:InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Synonyms:4-BROMOBENZYLAMINE
Definition date:2006-07-21
Last modified:2020-06-17
Release date:2014-03-19
Identifier:1-(4-bromophenyl)methanamine
SLX
SLX
Name:(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
Formula:C19 H21 N O4
SMILES:Oc1c4c(ccc1OC)CC3c2c(cc(OC)c(O)c2)CCN3C4
InChi:InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
Synonyms:(S)-scoulerine
Definition date:2009-01-20
Last modified:2020-06-17
Identifier:(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol
SN3
SN3
Name:(R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTA HYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE
Formula:C26 H43 Cl N6 O10 S
SMILES:O=S(=O)(O)OCC(OC)C(=O)NC(C(=O)N2C(C(=O)NCCC1=CCN(C(=[N@H])N)C1)CC3CC(O)C(O)CC23)C(Cl)C(C)C
InChi:InChI=1S/C26H43ClN6O10S/c1-13(2)21(27)22(31-24(37)20(42-3)12-43-44(39,40)41)25(38)33-16-10-19(35)18(34)9-15(16)8-17(33)23(36)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-35H,4,6-12H2,1-3H3,(H3,28,29)(H,30,36)(H,31,37)(H,39,40,41)/t15-,16+,17+,18+,19+,20-,21-,22-/m1/s1
Synonyms:CHLORODYSINOSIN
Definition date:2006-03-29
Last modified:2020-06-17
Identifier:(2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-methyl-1-oxopentan-2-yl}amino)-2-methoxy-3-oxopropyl hydrogen sulfate (non-preferred name)
SN9
SN9
Name:8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Formula:C30 H47 N5 O2
SMILES:O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5
InChi:InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23+,24?
Synonyms:SN8224
Definition date:2005-05-20
Last modified:2020-06-17
Identifier:cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide
SNR
SNR
Name:NORBIOTIN
Formula:C9 H14 N2 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCC(=O)O
InChi:InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1
Synonyms:4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
Definition date:2002-04-10
Last modified:2020-06-17
Identifier:4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid
SNT
SNT
Name:(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
Formula:C23 H27 N5
SMILES:N(=C/c1c(n(nc1C)c2ccccc2)C)N3CCN(CC3)Cc4ccccc4
InChi:InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
Synonyms:SANT-1
Definition date:2013-10-18
Last modified:2020-06-17
Release date:2014-01-22
Identifier:(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
7MI
7MI
Name:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
Formula:C26 H34 O8
SMILES:COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O
InChi:InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1
Synonyms:methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n aphtho[1,2-h]isochromene-2-carboxylate
Definition date:2016-12-06
Last modified:2020-06-17
Release date:2017-07-26
Identifier:methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate
SNW
SNW
Name:Deoxyfructosylglutamine
Formula:C11 H20 N2 O8
SMILES:NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
Synonyms:santhopine
Definition date:2016-06-12
Last modified:2020-06-17
Release date:2016-09-21
Identifier:(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid
SOP
SOP
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE
Formula:C24 H40 N7 O17 P3 S
SMILES:O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1
Synonyms:S-(2-OXOPROPYL)-COENZYME A
Definition date:2006-03-24
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
SOX
SOX
Name:N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE
Formula:C16 H20 N2 O5 S
SMILES:O=C2N1C(C(=O)O)C(C)(C)S(O)C1C2NC(=O)Cc3ccccc3
InChi:InChI=1S/C16H20N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14,23-24H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Synonyms:OXIDISED PENICILLIN G
Definition date:2001-09-11
Last modified:2020-06-17
Identifier:(2S,4S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SP5
SP5
Name:N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Formula:C12 H28 N4 O
SMILES:O=C(NCCCNCCCCNCCCN)C
InChi:InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
Synonyms:N1-AcSpermine
Definition date:2008-03-31
Last modified:2020-06-17
Identifier:N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
SPB
SPB
Name:4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
Formula:C19 H19 N O3
SMILES:O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O
InChi:InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
Synonyms:5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID
Definition date:2000-09-20
Last modified:2020-06-17
Identifier:5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid
SPL
SPL
Name:OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE
Formula:C26 H51 N O3
SMILES:O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
InChi:InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1
Synonyms:CERAMIDE
Definition date:2003-11-05
Last modified:2020-06-17
Identifier:N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octanamide

245011

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