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Search results for: '479-91-4'
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[1,1':4',1'':4'',1'''-Quaterphenyl]-3,3''',5,5'''-tetracarbo
Cas Number: 921619-91-2Formula: C28H18O8Molecular weight: 482.4Synonyms: 921619-91-2|[1,1':4',1'':4'',1'''-Quaterphenyl]-3,3''',5,5'''-tetracarboxylic acid|1,1':4',1'':4'',1...SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC(=CC(=C4)C(=O)O)C(=O)OInChIKey: UMTUQDSLNCYCDQ-UHFFFAOYSA-NInChI: InChI=1S/C28H18O8/c29-25(30)21-9-19(10-22(13-21)26(31)32)17-5-1-15(2-6-17)16-3-7-18(8-4-16)20-11-23(27(33)34)14-24(12-20)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
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Hexaminolevulinate hydrochloride
Cas Number: 140898-91-5Formula: C11H21NO3· HClMolecular weight: 251.75Synonyms: 140898-91-5|Hexaminolevulinate Hydrochloride|Hexyl 5-amino-4-oxopentanoate hydrochloride|5-Aminolevu...SMILES: CCCCCCOC(=O)CCC(=O)CN.ClInChIKey: LZYXPFZBAZTOCH-UHFFFAOYSA-NInChI: InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
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1-(2-Chlorophenyl)pyrazole-4-boronic acid
Cas Number: 1072945-91-5Formula: C9H8BClN2O2Molecular weight: 222.4Synonyms: 1-(2-Chlorophenyl)pyrazole-4-boronic acid|1072945-91-5|[1-(2-chlorophenyl)pyrazol-4-yl]boronic acid|...SMILES: B(C1=CN(N=C1)C2=CC=CC=C2Cl)(O)OInChIKey: MVLVNKOFJKGBIG-UHFFFAOYSA-NInChI: InChI=1S/C9H8BClN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
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Emamectin-benzoate
Cas Number: 155569-91-8Formula: C49H75NO13·C7H6O2Molecular weight: 1008.24Synonyms: Emamectin benzoate|155569-91-8|Emamectin|137512-74-4|MK-244|Emamectin Benzoate, 90%|SCHEMBL4291571|C...SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)OInChIKey: GCKZANITAMOIAR-XWVCPFKXSA-NInChI: See more
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4-[2-[benzyl(methyl)amino]-1-hydroxy-ethyl]benzene-1,2-diol
Cas Number: 1095714-91-2Formula: C16H19NO3Molecular weight: 273.33Synonyms: 1095714-91-2 | 4-[1-Hydroxy-2-[methyl(phenylmethyl)amino]ethyl]-1,2-benzenediol | PS-19065 | rac Adr...SMILES: CN(CC1=CC=CC=C1)CC(C2=CC(=C(C=C2)O)O)OInChIKey: YENHZTNWVCNPRW-UHFFFAOYSA-NInChI: InChI=1S/C16H19NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,16,18-20H,10-11H2,1H3
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ethyl 2-(4-bromo-2-pyridyl)acetate
Cas Number: 1060814-91-6 EC Number: 817-326-1Formula: C9H10NO2BrMolecular weight: 244.08Synonyms: (4-BROMO-PYRIDIN-2-YL)-ACETIC ACID ETHYL ESTER | F31216 | DS-14509 | FT-0696793 | AKOS026741235 | Et...SMILES: CCOC(=O)CC1=NC=CC(=C1)BrInChIKey: UNQUMGSSWNEUIM-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3
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Cetirizine Impurity B dihydrochloride
Cas Number: 1000690-91-4Formula: C19H23Cl3N2O2Molecular weight: 417.76Synonyms: Cetirizine Impurity B dihydrochloride|1000690-91-4|Cetirizine Impurity B (dihydrochloride)|(RS)-2-[4...SMILES: C1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.ClInChIKey: LSPZEDLYSAUAQV-UHFFFAOYSA-NInChI: InChI=1S/C19H21ClN2O2.2ClH/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24;;/h1-9,19H,10-14H2,(H,23,24);2*1H
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1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione
Cas Number: 7300-91-6Formula: C10H7NO3Molecular weight: 189.17Synonyms: 7300-91-6|1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione|4-maleimidophenol|N-(4-Hydroxyphenyl)maleimide|1-...SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)OInChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
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4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK)
Cas Number: 64091-91-4 EC Number: ‘636-341-2Formula: C10H13N3O2Molecular weight: 207.23Synonyms: 4-Methylnitrosamino-1,3-pyridyl-1-butanone | CHEBI:32692 | 4-n-nitrosomethylamino-1-3-pyridyl-1-buta...SMILES: CN(CCCC(=O)C1=CN=CC=C1)N=OInChIKey: FLAQQSHRLBFIEZ-UHFFFAOYSA-NInChI: InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
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4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline
Cas Number: 1197159-91-3Formula: C17H22N6O2Molecular weight: 342.4Synonyms: 1197159-91-3 | SY247198 | D5522 | AKOS026673975 | OGMSQGCPVLGNIG-UHFFFAOYSA-N | SB17832 | AS-70314 |...SMILES: C1COCCN1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)N4CCOCC4InChIKey: OGMSQGCPVLGNIG-UHFFFAOYSA-NInChI: InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
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3-(4-METHYLPHENYL)-5-ISOXAZOLAMINE
Cas Number: 28883-91-2Formula: C10H10N2OMolecular weight: 174.204Synonyms: 28883-91-2|3-(4-methylphenyl)isoxazol-5-amine|5-Amino-3-(4-methylphenyl)isoxazole|3-(4-methylphenyl)...SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)NInChIKey: APWSTGHORLJQPY-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
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3,3'-Dichlorobenzidine
Cas Number: 91-94-1Formula: C12H10Cl2N2Molecular weight: 253.13Synonyms: 3,3'-DICHLOROBENZIDINE|91-94-1|3,3'-Dichlorobiphenyl-4,4'-diamine|Dichlorobenzidine base|o,o'-Dichlo...SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)NInChIKey: HUWXDEQWWKGHRV-UHFFFAOYSA-NInChI: InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
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N(alpha)-Ethoxycarbonyl-L-asparagine
Cas Number: 16639-91-1Formula: C7H12N2O5Molecular weight: 204.18Synonyms: 16639-91-1|(S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid|L-Asparagine, N2-(ethoxycarbonyl...SMILES: CCOC(=O)NC(CC(=O)N)C(=O)OInChIKey: YORYXPTWPIKBDE-BYPYZUCNSA-NInChI: InChI=1S/C7H12N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h4H,2-3H2,1H3,(H2,8,10)(H,9,13)(H,11,12)/t4-/m0/s1
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3-Amino-4-fluorobenzonitrile
Cas Number: 859855-53-1Formula: C7H5FN2Molecular weight: 136.13Synonyms: 3-Amino-4-fluorobenzonitrile|859855-53-1|MFCD07787428|3-Amino-4-fluoro-benzonitrile|Boc-Tyr(Me)-OHDC...SMILES: C1=CC(=C(C=C1C#N)N)FInChIKey: BHMZMZOMQYFFQL-UHFFFAOYSA-NInChI: InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
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3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid (contains varying amounts of Anhydride)
Cas Number: 1072951-91-7Formula: C14H14BClO3Molecular weight: 276.52Synonyms: 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid|1072951-91-7|[3-[(4-chloro-3-methylphenoxy)me...SMILES: B(C1=CC(=CC=C1)COC2=CC(=C(C=C2)Cl)C)(O)OInChIKey: MLTCJWUQGYLPLF-UHFFFAOYSA-NInChI: InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3
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4-Amino-2-fluoro-5-methoxybenzoic acid
Cas Number: 1001346-91-3Formula: C8H8FNO3Molecular weight: 185.15Synonyms: 1001346-91-3 | MFCD11849929 | AKOS016002906 | 4-Amino-2-fluoro-5-methoxybenzoic acid | 4-amino-2-flu...SMILES: COC1=C(C=C(C(=C1)C(=O)O)F)NInChIKey: AOFWIQANMFITAG-UHFFFAOYSA-NInChI: InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
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Ethyl 4-isocyanatobenzoate
Cas Number: 30806-83-8Formula: C10H9NO3Molecular weight: 191.18Synonyms: 4-Ethoxycarbonyphenyl isocyanate | Ethyl para-isocyanatobenzoate | SCHEMBL76337 | Zopiclone, British...SMILES: CCOC(=O)C1=CC=C(C=C1)N=C=OInChIKey: CFEPCPHKICBCJV-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3
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Methyl 4-ethyl-3-iodobenzoate
Cas Number: 51885-91-7Formula: C10H11IO2Molecular weight: 290.1Synonyms: methyl 4-ethyl-3-iodobenzoate|51885-91-7|Methyl 4-Ethyl-iodobenzoate|METHYL 4-ETHYL-3-IODO-BENZOATE|...SMILES: CCC1=C(C=C(C=C1)C(=O)OC)IInChIKey: JTKHZRNJWHCKFS-UHFFFAOYSA-NInChI: InChI=1S/C10H11IO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3
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4-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine
Cas Number: 1260385-91-8Formula: C7H4BrFN2Molecular weight: 215.025Synonyms: 4-Bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine|1260385-91-8|1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-fluoro-...SMILES: C1=CN=C2C(=C1Br)C(=CN2)FInChIKey: QMCXMROKMHVDRC-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrFN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
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tert-butyl (2S,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
Cas Number: 790667-91-3Formula: C11H21NO3Molecular weight: 215.29Synonyms: 790667-91-3 | tert-butyl (2S,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate | (2S,4R)-1-BOC-2-METHYL...SMILES: CC1CC(CCN1C(=O)OC(C)(C)C)OInChIKey: RCXJVQLRZJXWNM-DTWKUNHWSA-NInChI: InChI=1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m0/s1
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2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid
Cas Number: 91-35-0Formula: C13H12N2O5SMolecular weight: 308.3Synonyms: 91-35-0|2-(3-Amino-4-hydroxyphenylsulfonamido)benzoic acid|2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]am...SMILES: C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)NInChIKey: ISDVREGLMJJFJG-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
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1-Benzyl-3,3-dimethylpiperidin-4-one
Cas Number: 173186-91-9Formula: C14H19NOMolecular weight: 217.31Synonyms: 1-benzyl-3,3-dimethylpiperidin-4-one|173186-91-9|1-benzyl-3,3-dimethyl-piperidin-4-one|4-Piperidinon...SMILES: CC1(CN(CCC1=O)CC2=CC=CC=C2)CInChIKey: YKQMBPQMCWGNDY-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
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Ethyl 3-bromo-1H-pyrazole-4-carboxylate
Cas Number: 1353100-91-0Formula: C6H7BrN2O2Molecular weight: 219.04Synonyms: Ethyl 3-bromo-1H-pyrazole-4-carboxylate|1353100-91-0|ethyl 5-bromo-1H-pyrazole-4-carboxylate|1-H-pyr...SMILES: CCOC(=O)C1=C(NN=C1)BrInChIKey: HMONTLMXUZERMC-UHFFFAOYSA-NInChI: InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
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Arotinolol Hydrochloride
Cas Number: 68377-91-3Formula: C15H21N3O2S3•HClMolecular weight: 407.99Synonyms: CAS-68377-91-3 | 9DOI1HT306 | .ALPHA.-BROMO-N-CAPROIC ACID [MI] | Tox21_112721 | FT-0602864 | (+/-)-...SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.ClInChIKey: XXDAXBZYUXLDRD-UHFFFAOYSA-NInChI: InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
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