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Search results for: '1072944-44-5'
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1-(oxetan-3-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Cas Number: 1876473-44-7Formula: C12H19BN2O3Molecular weight: 250.11Synonyms: 1876473-44-7|1-(3-Oxetanyl)-1H-pyrazole-5-boronic acid pinacol ester|1315280-58-0|1-(Oxetan-3-yl)-5-...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3COC3InChIKey: VHNCSHVEKCWKMA-UHFFFAOYSA-NInChI: InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)10-5-6-14-15(10)9-7-16-8-9/h5-6,9H,7-8H2,1-4H3
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(1S,3R)-3-amino-2,2-dimethyl-cyclobutanecarboxylic acid;hydrochloride
Cas Number: 1476780-44-5Synonyms: EN300-99504 | (1S,3R)-3-amino-2,2-dimethyl-cyclobutanecarboxylic acid;hydrochloride | 1476780-44-5 |...SMILES: CC1(C(CC1N)C(=O)O)C.ClInChIKey: HMDTZGADNNOTKS-TYSVMGFPSA-NInChI: InChI=1S/C7H13NO2.ClH/c1-7(2)4(6(9)10)3-5(7)8;/h4-5H,3,8H2,1-2H3,(H,9,10);1H/t4-,5-;/m1./s1
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4-Bromo-3-fluoropyridine, HCl
Cas Number: 1159811-44-5Formula: C5H3BrFN.ClHMolecular weight: 212.4Synonyms: 4-Bromo-3-fluoropyridine hydrochloride|1159811-44-5|4-Bromo-3-fluoropyridine HCl|3-Fluoro-4-bromopyr...SMILES: C1=CN=CC(=C1Br)F.ClInChIKey: NNSNDHTUFCXSAS-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H
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Ethyl 6-iodo-4-oxo-4h-chromene-2-carboxylate
Cas Number: 35204-44-5Formula: C12H9IO4Molecular weight: 344.1Synonyms: Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate|35204-44-5|ethyl 6-iodo-4-oxochromene-2-carboxylate|May...SMILES: CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)IInChIKey: HUJFMOAXSPSGDU-UHFFFAOYSA-NInChI: InChI=1S/C12H9IO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2H2,1H3
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5,5'-Dimethyl-2,2'-bipyridyl, Zinc sequestering agent
Cas Number: 1762-34-1Formula: C12H12N2Molecular weight: 184.24Synonyms: Abametapir|1762-34-1|5,5'-Dimethyl-2,2'-bipyridine|5,5'-Dimethyl-2,2'-dipyridyl|6,6'-Bi-3-picoline|X...SMILES: CC1=CN=C(C=C1)C2=NC=C(C=C2)CInChIKey: PTRATZCAGVBFIQ-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
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1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one
Cas Number: 1190865-44-1Formula: C8H2Cl2F4OMolecular weight: 261.00Synonyms: 1190865-44-1|1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone|1-(3,5-Dichloro-4-fluoro-phenyl...SMILES: C1=C(C=C(C(=C1Cl)F)Cl)C(=O)C(F)(F)FInChIKey: NSWPERXXSPCRCT-UHFFFAOYSA-NInChI: InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
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3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid
Cas Number: 850589-44-5Formula: C10H11BClNO3Molecular weight: 239.5Synonyms: 850589-44-5|3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid|(3-Chloro-4-(cyclopropylcarbamoyl)ph...SMILES: B(C1=CC(=C(C=C1)C(=O)NC2CC2)Cl)(O)OInChIKey: TUPWHDSMIIRKLY-UHFFFAOYSA-NInChI: InChI=1S/C10H11BClNO3/c12-9-5-6(11(15)16)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
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Pipemidic acid
Cas Number: 51940-44-4 EC Number: 257-530-2Formula: C14H17N5O3Molecular weight: 303.32Synonyms: pipemidic acid|51940-44-4|Pipedac|Deblaston|Pipemid|Pipram|Acido pipemidico|Dolcol|Acide pipemidique...SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)OInChIKey: JOHZPMXAZQZXHR-UHFFFAOYSA-NInChI: InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
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4-Bromo-3-chlorobenzyl bromide
Cas Number: 68120-44-5Formula: C7H5Br2ClMolecular weight: 284.4Synonyms: 4-Bromo-3-chlorobenzyl bromide|68120-44-5|1-BROMO-4-(BROMOMETHYL)-2-CHLOROBENZENE|MFCD08059101|3-Chl...SMILES: C1=CC(=C(C=C1CBr)Cl)BrInChIKey: XCJXYTFYKPVYMK-UHFFFAOYSA-NInChI: InChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
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methyl (1r,4r)-4-(hydroxymethyl)cyclohexane-1-carboxylate
Synonyms: 110928-44-4|methyl 4-(hydroxymethyl)cyclohexanecarboxylate|13380-85-3|(1r,4r)-methyl 4-(hydroxymethy...SMILES: COC(=O)C1CCC(CC1)COInChIKey: KOGYKIDJFOMAOF-UHFFFAOYSA-NInChI: InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
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2-Bromo-6-(3-methyl-5-trifluoromethylpyrazol-1-yl)pyridine
Cas Number: 1187386-44-2Formula: C10H7BrF3N3Molecular weight: 306.1Synonyms: 1187386-44-2|2-Bromo-6-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine|2-BROMO-6-(3-METHYL-5-...SMILES: CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CC=C2)BrInChIKey: ZHJINAMPCVQLHI-UHFFFAOYSA-NInChI: InChI=1S/C10H7BrF3N3/c1-6-5-7(10(12,13)14)17(16-6)9-4-2-3-8(11)15-9/h2-5H,1H3
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3-iodo-1h-pyrazole-4-carbonitrile
Cas Number: 827316-44-9Formula: C4H2IN3Molecular weight: 218.9833Synonyms: 3-Iodo-1H-pyrazole-4-carbonitrile|827316-44-9|5-iodo-1H-pyrazole-4-carbonitrile|SCHEMBL5754828|DTXSI...SMILES: C1=NNC(=C1C#N)IInChIKey: JEISIEQLHQZCOF-UHFFFAOYSA-NInChI: InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
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Sec-O-Glucosylhamaudol
Cas Number: 80681-44-3Formula: C21H26O10Molecular weight: 438.43Synonyms: sec-o-Glucosylhamaudol|80681-44-3|(3S)-5-hydroxy-2,2,8-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydrox...SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC4C(C(C(C(O4)CO)O)O)O)(C)C)OInChIKey: QVUPQEXKTXSMKX-JJDILSOYSA-NInChI: InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14+,17-,18+,19-,20+/m1/s1
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3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol
Cas Number: 57371-44-5Formula: C17H20O3Molecular weight: 272.34Synonyms: 3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol|57371-44-5|3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-...SMILES: COC1=C(C=CC(=C1)CCCO)OCC2=CC=CC=C2InChIKey: VEJWDVSLFQNNAN-UHFFFAOYSA-NInChI: InChI=1S/C17H20O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
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tert-butyl N-[trans-3-(methylamino)cyclobutyl]carbamate
Cas Number: 2168236-44-8Formula: 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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UV Absorber 400
Cas Number: 153519-44-9Formula: C81H108N6O8Molecular weight: 647Synonyms: 153519-44-9|UV-400|2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy...SMILES: CCCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O.CCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)OInChIKey: NKMFBISUUNTJTA-UHFFFAOYSA-NInChI: See more
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2-methyl-4-nitro-2H-indazole
Cas Number: 26120-44-5Formula: C8H7N3O2Molecular weight: 177.163Synonyms: 2-Methyl-4-nitro-2H-indazole|26120-44-5|2-Methyl-4-nitroindazole|2H-Indazole, 2-methyl-4-nitro-|2-me...SMILES: CN1C=C2C(=N1)C=CC=C2[N+](=O)[O-]InChIKey: NCSBJAWUBPTMRX-UHFFFAOYSA-NInChI: InChI=1S/C8H7N3O2/c1-10-5-6-7(9-10)3-2-4-8(6)11(12)13/h2-5H,1H3
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tert-butyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate
Synonyms: 1201187-44-1|tert-butyl 5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamate|tert-butyl N-[5-(4-methylbenz...SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)NC(=O)OC(C)(C)CInChIKey: NTMJGYRFMXFNIC-UHFFFAOYSA-NInChI: InChI=1S/C18H20N4O4S/c1-12-5-7-13(8-6-12)27(24,25)22-10-9-14-16(22)19-11-15(20-14)21-17(23)26-18(2,3)4/h5-11H,1-4H3,(H,20,21,23)
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Benzo[b]thiophene 1,1-dioxide
Cas Number: 825-44-5Formula: C8H6O2SMolecular weight: 166.19Synonyms: 825-44-5|Benzo[b]thiophene 1,1-dioxide|Benzothiophene 1,1-dioxide|THIANAPHTHENE-1,1-DIOXIDE|1-Benzot...SMILES: C1=CC=C2C(=C1)C=CS2(=O)=OInChIKey: FRJNKYGTHPUSJR-UHFFFAOYSA-NInChI: InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
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TAK-285, Epidermal growth factor receptor erbB1 inhibitor
Cas Number: 871026-44-7Formula: C26H25ClF3N5O3Molecular weight: 547.96Synonyms: TAK-285|871026-44-7|TAK285|TAK 285|N-(2-(4-(3-CHLORO-4-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYLAMINO)-5H-P...SMILES: CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)OInChIKey: ZYQXEVJIFYIBHZ-UHFFFAOYSA-NInChI: InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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tert-butyl N-[(7R)-5-azaspiro[2.4]heptan-7-yl]carbamate
Synonyms: 127199-44-4|(R)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate|TERT-BUTYL N-[(7R)-5-AZASPIRO[2.4]HEP...SMILES: CC(C)(C)OC(=O)NC1CNCC12CC2InChIKey: CGEBPOMWRHSMLI-QMMMGPOBSA-NInChI: InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
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Temocapril hydrochloride
Cas Number: 110221-44-8Formula: C23H29ClN2O5S2Molecular weight: 513.08Synonyms: 1,4-THIAZEPINE-4(5H)-ACETIC ACID, 6-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)TETRAHYDRO-5-OXO-...SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.ClInChIKey: XDDQNOKKZKHBIX-ASBZXGSUSA-NInChI: InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1
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(1R,2S)-2-(methoxymethyl)cyclobutanamine;hydrochloride
Cas Number: 1820583-44-5Synonyms: 1820583-44-5 | 2-(methoxymethyl)cyclobutan-1-amine hydrochloride, cis | 1807901-58-1 | (1R,2S)-2-(me...SMILES: COCC1CCC1N.ClInChIKey: RLNWNMHXJFSLNO-KGZKBUQUSA-NInChI: InChI=1S/C6H13NO.ClH/c1-8-4-5-2-3-6(5)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1
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