| SAS | Name: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | Formula: | C18 H14 N4 O5 S | SMILES: | O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 | InChi: | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | Synonyms: | SULFASALAZINE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid |
|
| CRD | Name: | (2E)-BUT-2-ENAL | Formula: | C4 H6 O | SMILES: | O=C/C=C/C | InChi: | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ | Synonyms: | CROTONALDEHYDE | Definition date: | 2003-03-19 | Last modified: | 2020-06-17 | Identifier: | (2E)-but-2-enal |
|
| CRT | Name: | SPIRILLOXANTHIN | Formula: | C42 H60 O2 | SMILES: | O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C | InChi: | InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ | Synonyms: | RHODOVIOLASCIN | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene |
|
| SGS | Name: | (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL
3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE | Formula: | C17 H22 O10 | SMILES: | O=C(OC1OC(C(O)C(O)C1O)CO)C=Cc2cc(OC)c(O)c(OC)c2 | InChi: | InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1 | Synonyms: | 1-O-SINAPOYL-BETA-D-GLUCOSE | Definition date: | 2006-06-13 | Last modified: | 2020-06-17 | Identifier: | 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose |
|
| CYZ | Name: | CYCLOTHIAZIDE | Formula: | C14 H16 Cl N3 O4 S2 | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N | InChi: | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1 | Synonyms: | 3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE | Definition date: | 2002-04-08 | Last modified: | 2020-06-17 | Identifier: | (3S)-3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
|
| SM4 | Name: | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | Formula: | C16 H16 B N O5 S | SMILES: | O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2 | InChi: | InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1 | Synonyms: | (2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID | Definition date: | 2006-09-06 | Last modified: | 2020-06-17 | Identifier: | (2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid |
|
| 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 |
|
| 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 |
|
| 8RC | Name: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin
e-2-carboxamide | Formula: | C30 H42 N8 O3 | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C | InChi: | InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1 | Synonyms: | Naquotinib | Definition date: | 2017-08-31 | Last modified: | 2020-06-17 | Release date: | 2018-07-11 | Identifier: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide |
|
| SPU | Name: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium | Formula: | C23 H50 N2 O5 P | SMILES: | O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1 | Synonyms: | sphingosylphosphorylcholine, sphingosine phosphorylcholine | Definition date: | 2009-07-28 | Last modified: | 2020-06-17 | Identifier: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
|
| SQS | Name: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol | Formula: | C18 H37 N O2 | SMILES: | OCC(N)C(O)/C=C/CCCCCCCCCCCCC | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 | Synonyms: | D-Sphingosine | Definition date: | 2013-04-26 | Last modified: | 2020-06-17 | Release date: | 2013-05-08 | Identifier: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol |
|
| SX7 | Name: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide | Formula: | C21 H22 N6 O | SMILES: | O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccnn3CC)ccc4N | InChi: | InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24) | Synonyms: | 2-Amino-5-[3-(2-ethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide | Definition date: | 2008-06-25 | Last modified: | 2020-06-17 | Identifier: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide |
|
| 90L | Name: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e
thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol | Formula: | C29 H48 O4 | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3 | InChi: | InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23+,24-,25-,26-,27-,29-/m1/s1 | Synonyms: | (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl
}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Definition date: | 2017-11-22 | Last modified: | 2020-06-17 | Release date: | 2018-04-11 | Identifier: | (1~{R},2~{R},3~{R})-5-[(~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3~{a},6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol |
|
| T27 | Name: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | Formula: | C22 H18 N6 | SMILES: | N#CC=Cc1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C | InChi: | InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+ | Synonyms: | Rilpivirine | Definition date: | 2007-11-21 | Last modified: | 2020-06-17 | Identifier: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile |
|
| AGE | Name: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide | Formula: | C16 H16 N2 O3 | SMILES: | O=C(c1cc(C=CC(=O)NO)n(c1)C)Cc2ccccc2 | InChi: | InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+ | Synonyms: | APHA Compound 8 | Definition date: | 2008-11-03 | Last modified: | 2020-06-17 | Identifier: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide |
|
| AHI | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM | Formula: | C4 H13 N4 O | SMILES: | N(/O)=C(/N)NCCC[NH3+] | InChi: | InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1 | Synonyms: | DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE | Definition date: | 2004-05-20 | Last modified: | 2020-06-17 | Identifier: | 3-(N''-hydroxycarbamimidamido)propan-1-aminium |
|
| T8X | Name: | 2-O-sulfo-alpha-D-glucopyranosyl
2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside | Formula: | C56 H104 O16 S | SMILES: | O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO | InChi: | InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1 | Synonyms: | 2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose | Definition date: | 2011-08-18 | Last modified: | 2020-06-17 | Identifier: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside |
|
| AL1 | Name: | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | Formula: | C13 H14 N2 O5 S3 | SMILES: | O=S(=O)(c1sc3c(c1)CCN(c2cccc(OC)c2)S3(=O)=O)N | InChi: | InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17) | Synonyms: | AL7182 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-(3-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
| AL7 | Name: | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | Formula: | C14 H17 N3 O5 S3 | SMILES: | O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N | InChi: | InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1 | Synonyms: | AL7099A | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (4S)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
| AL8 | Name: | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | Formula: | C14 H17 N3 O5 S3 | SMILES: | O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N | InChi: | InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1 | Synonyms: | AL7089A | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (4R)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
| 8B3 | Name: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-
carbonitrile | Formula: | C24 H20 F4 N4 O | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3F)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C24H20F4N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1 | Synonyms: | (s)-6-amino-4-(2'-fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol
e-5-carbonitrile | Definition date: | 2017-05-25 | Last modified: | 2020-06-17 | Release date: | 2017-11-29 | Identifier: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
|
| 8BF | Name: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{
a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol | Formula: | C31 H44 O4 | SMILES: | C[CH](CCC[CH](O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C31H44O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-30,32-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,28-,29-,30-,31-/m1/s1 | Synonyms: | 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol |
|
| 8BL | Name: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl
idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one | Formula: | C31 H42 O4 | SMILES: | C[CH](CCCC(=O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C31H42O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-27,29-30,32,34-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,29-,30-,31-/m1/s1 | Synonyms: | 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one |
|
| THX | Name: | PHOSPHONIC ACID
6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA
RBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER | Formula: | C50 H53 N10 O12 P | SMILES: | O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)NCCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7)C)CC8O)CC9)CC%10)CC%11 | InChi: | InChI=1S/C50H53N10O12P/c1-26-24-60(50(67)56-45(26)62)44-23-42(61)43(72-44)25-71-73(68,69)70-19-5-3-2-4-15-52-46(63)36-20-30-27-12-16-57(39(27)9-6-33(30)53-36)47(64)37-21-31-28-13-17-58(40(28)10-7-34(31)54-37)48(65)38-22-32-29-14-18-59(49(51)66)41(29)11-8-35(32)55-38/h6-11,20-22,24,42-44,53-55,61H,2-5,12-19,23,25H2,1H3,(H2,51,66)(H,52,63)(H,68,69)(H,56,62,67)/t42-,43+,44+/m0/s1 | Synonyms: | CDPI3 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine |
|
| 8C9 | Name: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl
)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one | Formula: | C35 H50 O4 | SMILES: | CCCC[CH](CCC(=O)c1ccc(O)cc1)[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C35H50O4/c1-5-6-8-26(14-19-32(37)28-12-15-29(36)16-13-28)23(2)30-17-18-31-27(9-7-20-35(30,31)4)11-10-25-21-33(38)24(3)34(39)22-25/h10-13,15-16,23,26,30-31,33-34,36,38-39H,3,5-9,14,17-22H2,1-2,4H3/b27-11+/t23-,26+,30-,31+,33-,34-,35-/m1/s1 | Synonyms: | 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one |
|