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Search results for: '10435-44-6'
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Dabigatran-d3
Cas Number: 1246817-44-6Formula: C25H22D3N7O3Molecular weight: 474.53Synonyms: HY-10163S1 | Dabigatran-d3 | N-{2-[(4-Carbamimidoylanilino)methyl]-1-(~2~H_3_)methyl-1H-benzimidazol...SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)NInChIKey: YBSJFWOBGCMAKL-FIBGUPNXSA-NInChI: InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i1D3
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Wogonoside
Cas Number: 51059-44-0Formula: C22H20O11Molecular weight: 460.4Synonyms: Wogonoside|Oroxindin|51059-44-0|Wogonin 7-O-glucuronide|Glychionide B|UNII-ETX4944Z3R|ETX4944Z3R|CHE...SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)OInChIKey: LNOHXHDWGCMVCO-NTKSAMNMSA-NInChI: InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1
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Fmoc-2-(Boc-aminomethyl)-D-phenylalanine
Cas Number: 1217729-44-6Formula: C30H32N2O6Molecular weight: 516.58Synonyms: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phe...SMILES: CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: SANGKBPWIFXZHS-AREMUKBSSA-NInChI: See more
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2-Ethylaminopyrimidine-5-boronic acid, pinacol ester
Cas Number: 1218791-44-6Formula: C12H20BN3O2Molecular weight: 249.1Synonyms: 1218791-44-6|N-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine|2-Ethylaminopy...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NCCInChIKey: QZSWEVVTXWRLLI-UHFFFAOYSA-NInChI: InChI=1S/C12H20BN3O2/c1-6-14-10-15-7-9(8-16-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3,(H,14,15,16)
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Methyl (2-amino-phenyl)-acetate
Cas Number: 35613-44-6Formula: C9H11NO2Molecular weight: 165.2Synonyms: Methyl 2-(2-aminophenyl)acetate|35613-44-6|METHYL (2-AMINO-PHENYL)-ACETATE|methyl 2-aminophenylaceta...SMILES: COC(=O)CC1=CC=CC=C1NInChIKey: BWQBYHGDMBHIIQ-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3
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BOS172722
Cas Number: 1578245-44-9Formula: C24H30N8OMolecular weight: 446.55Synonyms: compound 36 [PMID: 30199249] | s8911 | 1578245-44-9 | N2-(2-Ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl...SMILES: CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)CInChIKey: SGWLRDAOCLITOM-UHFFFAOYSA-NInChI: InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)
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2-Bromo-4-chloro-1-iodobenzene
Cas Number: 31928-44-6Formula: C6H3BrClIMolecular weight: 317.36Synonyms: 2-BROMO-4-CHLORO-1-IODOBENZENE|31928-44-6|2-Bromo-4-chloroiodobenzene|MFCD00672944|BENZENE, 2-BROMO-...SMILES: C1=CC(=C(C=C1Cl)Br)IInChIKey: CXHXFDQEFKFYQJ-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H
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N,N,N-Trimethyl-3-oxo-3-phenylpropan-1-aminium chloride
Cas Number: 24472-88-6Formula: C12H18ClNOMolecular weight: 227.73Synonyms: 24472-88-6|N,N,N-Trimethyl-3-oxo-3-phenylpropan-1-aminium chloride|(2-Benzoylethyl)trimethylammonium...SMILES: C[N+](C)(C)CCC(=O)C1=CC=CC=C1.[Cl-]InChIKey: ROEBDLGOYFXINS-UHFFFAOYSA-MInChI: InChI=1S/C12H18NO.ClH/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
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tert-butyl N-[3-(methylamino)cyclobutyl]carbamate
Cas Number: 1507172-39-5Formula: C10H20N2O2Molecular weight: 200.28Synonyms: tert-butyl N-[3-(methylamino)cyclobutyl]carbamate | 1507172-39-5 | 2168236-44-8 | tert-butyl (3-(met...SMILES: CC(C)(C)OC(=O)NC1CC(C1)NCInChIKey: MCNDOUJOQHVZFB-UHFFFAOYSA-NInChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-7(6-8)11-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
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4-Aminotoluene-3-sulfonic acid
Formula: C7H9NO3SMolecular weight: 187.22Synonyms: 4-amino-1-methylbenzene-3-sulfonic acid | P-TOLUIDINE-M-SULFONIC ACID | 4-METHYL-2-SULFOANILINE | 6-...SMILES: CC1=CC(=C(C=C1)N)S(=O)(=O)OInChIKey: LTPSRQRIPCVMKQ-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
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3-Chloro-4-methoxytoluene
Cas Number: 22002-44-4Formula: C8H9ClOMolecular weight: 156.61Synonyms: 3-Chloro-4-methoxytoluene|22002-44-4|2-Chloro-1-methoxy-4-methylbenzene|2-Chloro-4-methylanisole|Ben...SMILES: CC1=CC(=C(C=C1)OC)ClInChIKey: VUZBRBKYGIQXMP-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
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Efinaconazole, Lanosterol 14-alpha demethylase inhibitor
Cas Number: 164650-44-6Formula: C18H22F2N4OMolecular weight: 348.39Synonyms: EFINACONAZOLE|164650-44-6|(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-t...SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3InChIKey: NFEZZTICAUWDHU-RDTXWAMCSA-NInChI: InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
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O1-tert-butyl O2-methyl (2R,4S)-4-benzyloxypyrrolidine-1,2-dicarboxylate
Cas Number: 1610036-44-6Formula: C18H25NO5Molecular weight: 335.39Synonyms: 1610036-44-6 | O1-tert-butyl O2-methyl (2R,4S)-4-benzyloxypyrrolidine-1,2-dicarboxylate | 1-(tert-Bu...SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)OCC2=CC=CC=C2InChIKey: AXXKODYHGLJTHX-LSDHHAIUSA-NInChI: InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-11-14(10-15(19)16(20)22-4)23-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3/t14-,15+/m0/s1
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tert-butyl N-[cis-3-(methylamino)cyclobutyl]carbamate
Cas Number: 2168165-22-6Formula: C10H20N2O2Molecular weight: 200.28Synonyms: tert-butyl N-[3-(methylamino)cyclobutyl]carbamate | 1507172-39-5 | 2168236-44-8 | tert-butyl (3-(met...SMILES: CC(C)(C)OC(=O)NC1CC(C1)NCInChIKey: MCNDOUJOQHVZFB-UHFFFAOYSA-NInChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-7(6-8)11-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
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1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Cas Number: 1029716-44-6Formula: C13H23BN2O3Molecular weight: 266.144Synonyms: 1029716-44-6|1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|1-(1-Etho...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)OCCInChIKey: IZKVGEWCELXYRI-UHFFFAOYSA-NInChI: InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3
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2,3-Dichlorocinnamic acid
Cas Number: 34164-42-6Formula: C9H6Cl2O2Molecular weight: 217.1Synonyms: 2,3-Dichlorocinnamic acid|20595-44-2|3-(2,3-Dichlorophenyl)acrylic acid|34164-42-6|(2E)-3-(2,3-dichl...SMILES: C1=CC(=C(C(=C1)Cl)Cl)C=CC(=O)OInChIKey: RCEWIEGWGDHVNK-SNAWJCMRSA-NInChI: InChI=1S/C9H6Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
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N-Phthaloyl-DL-methionine
Cas Number: 52881-96-6Formula: C13H13NO4SMolecular weight: 279.31Synonyms: N-Phthaloyl-DL-methionine|5464-44-8|52881-96-6|TCMDC-125514|2-(1,3-dioxoisoindol-2-yl)-4-methylsulfa...SMILES: CSCCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=OInChIKey: VMTKJVHNTIEOCU-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
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(5-(2-THIENYL)-3-ISOXAZOLYL)METHANOL
Cas Number: 194491-44-6Formula: C8H7NO2SMolecular weight: 181.214Synonyms: 194491-44-6|[5-(2-thienyl)-3-isoxazolyl]methanol|[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methanol|(5-(thi...SMILES: C1=CSC(=C1)C2=CC(=NO2)COInChIKey: HUAGDHXVPCSWLD-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
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tert-butyl N-[(2S,3S)-2-methylazetidin-3-yl]carbamate;hydrochloride
Cas Number: 2068138-00-9Synonyms: 2068138-00-9 | tert-butyl N-[(2S,3S)-2-methylazetidin-3-yl]carbamate | hydrochloride | TERT-BUTYL N-...SMILES: CC1C(CN1)NC(=O)OC(C)(C)C.ClInChIKey: QEGLJGQQFDDFJO-LEUCUCNGSA-NInChI: InChI=1S/C9H18N2O2.ClH/c1-6-7(5-10-6)11-8(12)13-9(2,3)4;/h6-7,10H,5H2,1-4H3,(H,11,12);1H/t6-,7-;/m0./s1
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Trimellitic acid
Formula: C9H6O6Molecular weight: 210.14Synonyms: Z203045298 | TRIMELLITIC ACID [MI] | AS-17898 | Tox21_201939 | InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)...SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)OInChIKey: ARCGXLSVLAOJQL-UHFFFAOYSA-NInChI: InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
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(cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
Cas Number: 134071-44-6Formula: C21H20Cl2N2O5SMolecular weight: 483.37Synonyms: 134071-44-6|(cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-meth...SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)ClInChIKey: WAXNIYHZFWRPGS-UTKZUKDTSA-NInChI: InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1
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Tiliroside
Cas Number: 20316-62-5Formula: C30H26O13Molecular weight: 594.52Synonyms: Tiliroside|20316-62-5|Tribuloside|Trans-Tiliroside|15M04TXR9M|CHEMBL266564|[(2R,3S,4S,5R,6S)-6-[5,7-...SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)OInChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-NInChI: See more
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28-homobrassinolide
Cas Number: 82373-95-3Formula: C29H50O6Molecular weight: 494.70Synonyms: 28-homobrassinolide|Brassinolide-ethyl|82373-95-3|(22R,23R)-28-homobrassinolide|74174-44-0|(22R,23R)...SMILES: CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)OInChIKey: HJIKODJJEORHMZ-NNPZUXBVSA-NInChI: See more
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