 | | AZS | | Name: | O-DIAZOACETYL-L-SERINE | | Formula: | C5 H7 N3 O4 | | SMILES: | O=C(OCC(N)C(=O)O)C=[N+]=[N-] | | InChi: | InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1 | | Synonyms: | ASASERINE | | Definition date: | 2007-09-20 | | Last modified: | 2020-06-17 | | Identifier: | O-(diazoacetyl)-L-serine |
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 | | AZZ | | Name: | 3'-azido-3'-deoxythymidine | | Formula: | C10 H13 N5 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(N=[N+]=[N-])C2)CO | | InChi: | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | | Synonyms: | Azidothymidine | | Definition date: | 2007-11-14 | | Last modified: | 2020-06-17 | | Identifier: | 3'-azido-3'-deoxythymidine |
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 | | T4F | | Name: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta
nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid | | Formula: | C25 H46 N4 O5 S | | SMILES: | CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O | | InChi: | InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1 | | Synonyms: | tafCPB | | Definition date: | 2016-09-28 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-26 | | Identifier: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid |
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 | | B14 | | Name: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | | Formula: | C19 H16 F2 N6 O | | SMILES: | N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4 | | InChi: | InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | | Synonyms: | AR-C102222 | | Definition date: | 2005-10-03 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile |
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 | | B1C | | Name: | N-(tert-butoxycarbonyl)-L-tyrosine | | Formula: | C14 H19 N O5 | | SMILES: | O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C | | InChi: | InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 | | Synonyms: | BOC-TYR | | Definition date: | 2016-11-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 | | Identifier: | N-(tert-butoxycarbonyl)-L-tyrosine |
|
 | | B1L | | Name: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE | | Formula: | C20 H22 N2 O5 | | SMILES: | O=C(OC2CCCNCC2NC(=O)c1ccc(O)cc1)c3ccc(O)cc3 | | InChi: | InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1 | | Synonyms: | BALANOL ANALOG 1 | | Definition date: | 2003-12-02 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-hydroxybenzoate |
|
 | | B1V | | Name: | 2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL | | Formula: | C12 H14 F3 N3 O2 S | | SMILES: | O=C(N1CCCCC1)CSc2nc(cc(O)n2)C(F)(F)F | | InChi: | InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19) | | Synonyms: | 2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)THIO]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4(1H)-ONE | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol |
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 | | B1Z | | Name: | Adenosylcobalamin | | Formula: | C72 H101 Co N18 O17 P | | SMILES: | C[CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3N|4=C2C(=C5N|6=C(C=C7N|8=C(C(=C9[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[N]9[Co]|4|6|8(C[CH]%10O[CH]([CH](O)[CH]%10O)n%11cnc%12c(N)ncnc%11%12)|n%13cn([CH]%14O[CH](CO)[CH](O[P](O)(=O)O1)[CH]%14O)c%15cc(C)c(C)cc%13%15)C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)C(C)(C)[CH]5CCC(N)=O)C | | InChi: | InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56 | | Synonyms: | Cobamamide | | Definition date: | 2012-09-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-12 |
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 | | TL2 | | Name: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1 | | Synonyms: | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TL3 | | Name: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TL4 | | Name: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | B25 | | Name: | 5-nitro-1H-indole-2-carboximidamide | | Formula: | C9 H8 N4 O2 | | SMILES: | [O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N | | InChi: | InChI=1S/C9H8N4O2/c10-9(11)8-4-5-3-6(13(14)15)1-2-7(5)12-8/h1-4,12H,(H3,10,11) | | Synonyms: | 5-nitro-1H-indole-2-amidine | | Definition date: | 2010-05-10 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitro-1H-indole-2-carboximidamide |
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 | | B2B | | Name: | (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade
ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | | Formula: | C34 H54 O12 | | SMILES: | O=C(OC(C)C(C)C(O)CC(=O)C(C)C(O)CCC(C)CC(C)CCC=C(C=CC(=O)O)CC)CC(O)C(=C(C(=O)O)C)C(=O)O | | InChi: | InChI=1S/C34H54O12/c1-8-25(13-15-30(39)40)11-9-10-19(2)16-20(3)12-14-26(35)22(5)28(37)17-27(36)21(4)24(7)46-31(41)18-29(38)32(34(44)45)23(6)33(42)43/h11,13,15,19-22,24,26-27,29,35-36,38H,8-10,12,14,16-18H2,1-7H3,(H,39,40)(H,42,43)(H,44,45)/b15-13+,25-11+,32-23-/t19-,20-,21+,22-,24+,26-,27+,29+/m0/s1 | | Synonyms: | tautomycetin analogue TTNB1B | | Definition date: | 2010-04-26 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13S,16E,18E)-19-carboxy-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6-oxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
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 | | TLC | | Name: | 2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE | | Formula: | C12 H17 N2 O9 P | | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C | | InChi: | InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1 | | Synonyms: | [3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE | | Definition date: | 2000-02-25 | | Last modified: | 2020-06-17 | | Identifier: | [(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate |
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 | | TLD | | Name: | 4-methylbenzene-1,2-dithiol | | Formula: | C7 H8 S2 | | SMILES: | Sc1ccc(cc1S)C | | InChi: | InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 | | Synonyms: | Toluene-3,4-dithiol | | Definition date: | 2007-09-25 | | Last modified: | 2020-06-17 | | Identifier: | 4-methylbenzene-1,2-dithiol |
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 | | TLM | | Name: | THIOLACTOMYCIN | | Formula: | C11 H14 O2 S | | SMILES: | O=C1SC(/C=C(/C=C)C)(C(O)=C1C)C | | InChi: | InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1 | | Synonyms: | 4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE | | Definition date: | 2000-08-14 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one |
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 | | TLO | | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine | | Formula: | C16 H20 N2 O11 P2 | | SMILES: | O=P(Oc1ccccc1)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | | InChi: | InChI=1S/C16H20N2O11P2/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(27-14)9-26-30(22,23)29-31(24,25)28-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,24,25)(H,17,20,21)/t12-,13+,14+/m0/s1 | | Synonyms: | thymidine diphosphate phenol | | Definition date: | 2010-10-29 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine |
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 | | B2R | | Name: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate | | Formula: | C26 H29 N7 O4 | | SMILES: | Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1 | | InChi: | InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35) | | Synonyms: | Naphthyridine Carbamate Dimer | | Definition date: | 2019-01-08 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-25 | | Identifier: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate |
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 | | TLZ | | Name: | D-altritol | | Formula: | C6 H14 O6 | | SMILES: | OC(C(O)CO)C(O)C(O)CO | | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1 | | Synonyms: | D-talitol | | Definition date: | 2014-12-15 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | D-altritol |
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 | | B36 | | Name: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline | | Formula: | C31 H28 N2 O | | SMILES: | O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 | | InChi: | InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3 | | Synonyms: | Anthracen-9-yl-[4-(2-methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-methanon | | Definition date: | 2009-04-17 | | Last modified: | 2020-06-17 | | Identifier: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline |
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 | | B37 | | Name: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline | | Formula: | C32 H29 N3 O | | SMILES: | O=C(c2c3ccccc3nc(c1ccccc1)c2)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 | | InChi: | InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3 | | Synonyms: | [4-(2-Methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-(2-phenyl-quinolin-4-yl)-methanon | | Definition date: | 2009-04-17 | | Last modified: | 2020-06-17 | | Identifier: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline |
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 | | TMH | | Name: | (+)-alpha-Pinene | | Formula: | C10 H16 | | SMILES: | C1(=CCC2CC1C2(C)C)C | | InChi: | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 | | Synonyms: | (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE | | Definition date: | 2002-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
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 | | TMI | | Name: | 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE | | Formula: | C22 H18 N2 | | SMILES: | n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4 | | InChi: | InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1 | | Synonyms: | BIFONAZOLE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole |
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 | | B3N | | Name: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide | | Formula: | C16 H25 N3 O3 | | SMILES: | O=C(NO)CCCCCCNC(=O)c1ccc(N(C)C)cc1 | | InChi: | InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) | | Synonyms: | M344 | | Definition date: | 2004-05-10 | | Last modified: | 2020-06-17 | | Identifier: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide |
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 | | TN4 | | Name: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl
(chloroacetyl)carbamate | | Formula: | C19 H30 Cl N O6 | | SMILES: | ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C | | InChi: | InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1 | | Synonyms: | TNP-470 (Open form) | | Definition date: | 2003-04-24 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate |
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