 | | W84 | | Name: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | | Formula: | C21 H28 N2 O3 | | SMILES: | N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3 | | InChi: | InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m0/s1 | | Synonyms: | WIN I(S) | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-methyl-5-(7-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole |
|
 | | VD3 | | Name: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI
DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL | | Formula: | C27 H44 O | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(C)C)CCC12)C(=C)CC3 | | InChi: | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/t21-,24+,25-,26+,27-/m1/s1 | | Synonyms: | VITAMIN D3 | | Definition date: | 2006-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (3S,5E,7Z,14beta,17alpha)-9,10-secocholesta-5,7,10-trien-3-ol |
|
 | | RBT | | Name: | RIFABUTIN | | Formula: | C46 H62 N4 O11 | | SMILES: | O=C4c5c2C1=NC6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C)CCN(CC(C)C)CC6 | | InChi: | InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 | | Synonyms: | (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25-
HEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)-
5,10,26(3H,9H)-TRIONE,16-ACETATE | | Definition date: | 2005-07-19 | | Last modified: | 2020-06-17 | | Identifier: | (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate |
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 | | TDM | | Name: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL
TRIHYDROGEN DIPHOSPHATE | | Formula: | C14 H22 N4 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)C)N(C=1C)Cc2cnc(nc2N)C | | InChi: | InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+ | | Synonyms: | 2-HYDROXYETHYLTHIAMIN DIPHOSPHATE | | Definition date: | 2005-12-01 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate |
|
 | | RBV | | Name: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide | | Formula: | C8 H12 N4 O5 | | SMILES: | O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 | | Synonyms: | Ribavirin | | Definition date: | 2011-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide |
|
 | | SK8 | | Name: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole | | Formula: | C16 H12 F N3 S | | SMILES: | Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4 | | InChi: | InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2 | | Synonyms: | SKF-86002 | | Definition date: | 2013-07-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole |
|
 | | PBU | | Name: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1
,2-DIYL DIBUTANOATE | | Formula: | C17 H33 O19 P3 | | SMILES: | O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC | | InChi: | InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1 | | Synonyms: | di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate | | Definition date: | 2006-05-25 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate |
|
 | | SKD | | Name: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID | | Formula: | C11 H17 N O8 | | SMILES: | O=C(NC1C(O)CC2(OC1C(O2)C(O)CO)C(=O)O)C | | InChi: | InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1 | | Synonyms: | 2,7-ANHYDRO-NEU5AC | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,5S,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name) |
|
 | | TDU | | Name: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea | | Formula: | C15 H18 N4 O S | | SMILES: | O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2 | | InChi: | InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20) | | Synonyms: | 1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea | | Definition date: | 2011-07-07 | | Last modified: | 2020-06-17 | | Identifier: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea |
|
 | | YZS | | Name: | (2S)-sulfonatepropionyl-amino(dethia)-CoA | | Formula: | C24 H41 N8 O20 P3 S | | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(S(O)(=O)=O)C)=O)(=O)O)(O)O | | InChi: | InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13+,16+,17+,18-,23+/m0/s1 | | Synonyms: | (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]me
thoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-
1-oxidanylidene-propane-2-sulfonic acid | | Definition date: | 2019-02-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-10 | | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
|
 | | DIU | | Name: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | | Formula: | C7 H4 I2 O3 | | SMILES: | Ic1cc(C(=O)O)c(O)c(I)c1 | | InChi: | InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) | | Synonyms: | 2-HYDROXY-3,5-DIIODOBENZOIC ACID | | Definition date: | 2005-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-3,5-diiodobenzoic acid |
|
 | | PQE | | Name: | 3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL | | Formula: | C29 H60 O8 | | SMILES: | O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC | | InChi: | InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3 | | Synonyms: | ANAPOE-C12E8 | | Definition date: | 2006-11-07 | | Last modified: | 2020-06-17 | | Identifier: | 3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol |
|
 | | PQJ | | Name: | fos-choline-14 | | Formula: | C19 H43 N O4 P | | SMILES: | CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C | | InChi: | InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22) | | Synonyms: | tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | | Definition date: | 2019-08-21 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-25 | | Identifier: | tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate |
|
 | | RCA | | Name: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C12 H16 N4 O5 | | SMILES: | O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(=O)NC(=O)N2)C | | InChi: | InChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1 | | Synonyms: | HYDROXYMETHYL-HYDROTHYMYL-THYMINE | | Definition date: | 2000-05-24 | | Last modified: | 2020-06-17 | | Identifier: | 6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
|
 | | VDN | | Name: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE | | Formula: | C23 H32 N6 O4 S | | SMILES: | O=C2N=C(Nn1c(nc(c12)C)CCC)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4 | | InChi: | InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | | Synonyms: | VARDENAFIL, LEVITRA | | Definition date: | 2003-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one |
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 | | PQN | | Name: | PHYLLOQUINONE | | Formula: | C31 H46 O2 | | SMILES: | O=C2c1c(cccc1)C(=O)C(=C2C)CC=C(/C)CCCC(C)CCCC(C)CCCC(C)C | | InChi: | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 | | Synonyms: | VITAMIN K1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione |
|
 | | 4ST | | Name: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | | Formula: | C28 H30 N4 O3 | | SMILES: | O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | | InChi: | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | | Synonyms: | AFN941 | | Definition date: | 2005-03-14 | | Last modified: | 2020-06-17 | | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
|
 | | PC7 | | Name: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE | | Formula: | C42 H85 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H84NO8P/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/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1 | | Synonyms: | PHOSPHATIDYLCHOLINE | | Definition date: | 2006-06-29 | | Last modified: | 2020-06-17 | | Identifier: | (4R,7S)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide |
|
 | | QYM | | Name: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol | | Formula: | C28 H37 N O3 | | SMILES: | c1c3c(cc(c1)O)CCC4C2CCC(C2(CC(C34)c5ccc(cc5)OCCN(C)C)C)O | | InChi: | InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27-,28-/m0/s1 | | Synonyms: | RU39411 | | Definition date: | 2020-01-15 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-29 | | Identifier: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol |
|
 | | SKZ | | Name: | [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-
(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron | | Formula: | C16 H22 Fe N4 O9 | | SMILES: | O=C3O[Fe]5124O/C(=C)N(O1)CCCNC(=O)CC3(O2)CC(=O)NCCCN(O4)C(O5)=C | | InChi: | InChI=1S/C16H25N4O9.Fe/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22 | | Synonyms: | Schizokinen | | Definition date: | 2011-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2012-08-31 | | Identifier: | [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron |
|
 | | S60 | | Name: | 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C10 H9 N5 O | | SMILES: | O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C | | InChi: | InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16) | | Synonyms: | 2-methyl-lin-Benzoguanine | | Definition date: | 2008-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | VDZ | | Name: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO
L | | Formula: | C27 H44 O3 | | SMILES: | OC3/C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CCCC(O)(C)C)C)C3 | | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1 | | Synonyms: | 2-METHYLENE-19-NOR-(20S)-1ALPHA,25-DIHYDROXY-VITAMIN D3 | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-17-[(1S)-5-hydroxy-1,5-dimethylhexyl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | | RCO | | Name: | RESORCINOL | | Formula: | C6 H6 O2 | | SMILES: | Oc1cccc(O)c1 | | InChi: | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | | Synonyms: | 1,3-BENZENEDIOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,3-diol |
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 | | W91 | | Name: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE | | Formula: | C16 H16 Cl2 N2 O3 | | SMILES: | Clc3c(OCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3 | | InChi: | InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3 | | Synonyms: | WIN56291 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methylisoxazole |
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 | | PCK | | Name: | (7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P
HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE | | Formula: | C44 H85 Br4 N O8 P | | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1 | | Synonyms: | TETRABROMINATED PHOSPHATIDYLCHOLINE | | Definition date: | 2006-06-30 | | Last modified: | 2020-06-17 | | Identifier: | (4R,7R,18S,19R)-18,19-dibromo-7-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide |
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