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Search results for: '2204290-85-5'
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Parecoxib Sodium, Cyclooxygenase-2 inhibitor
Cas Number: 198470-85-8Formula: C19H17N2NaO4SMolecular weight: 392.4Synonyms: Parecoxib sodium|198470-85-8|Dynastat|PARECOXIB Na|Parecoxib (Sodium)|Rayzon|Parecoxib sodium salt|S...SMILES: CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+]InChIKey: HQPVVKXJNZEAFW-UHFFFAOYSA-MInChI: InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1
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D-Phenothrin
Cas Number: 26046-85-5Formula: C23H26O3Molecular weight: 350.46Synonyms: D-Phenothrin|26046-85-5|(1R)-trans-Phenothrin|d-trans-Phenothrin|(-)-trans-Phenothrin|1R-trans-Pheno...SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)CInChIKey: SBNFWQZLDJGRLK-RTWAWAEBSA-NInChI: InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21+/m1/s1
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Phenanthrene
Formula: C14H10Molecular weight: 178.23Synonyms: PHENANTHRENE|85-01-8|Phenanthren|Phenanthracene|Phenanthrin|Ravatite|Phenantrin|Phenanthrene, pure|C...SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C32InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-NInChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
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N-(4-Amino-5-methoxy-2-methylphenyl)benzamide
Cas Number: 99-21-8Formula: C15H16N2O2Molecular weight: 256.3Synonyms: 4'-Amino-5'-methoxy-2'-methylbenzanilide | CCG-46388 | N-(4-Amino-5-methoxy-2-methylphenyl)benzamide...SMILES: CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NInChIKey: VENDXQNWODZJGB-UHFFFAOYSA-NInChI: InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
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(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone
Cas Number: 91874-85-0Formula: C12H12N2OMolecular weight: 200.24Synonyms: (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone|91874-85-0|4-(2',3'-Dimethylbenzoyl)imidazole|(2,3-d...SMILES: CC1=C(C(=CC=C1)C(=O)C2=CN=CN2)CInChIKey: RXMJMOMMINVJMY-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O/c1-8-4-3-5-10(9(8)2)12(15)11-6-13-7-14-11/h3-7H,1-2H3,(H,13,14)
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Nile Blue chloride
Cas Number: 2381-85-3Formula: C20H20ClN3OMolecular weight: 353.85Synonyms: FT-0759287 | AKOS004901433 | N-(5-amino-9H-benzo[a]phenoxazin-9-ylidene)-N-ethylethanaminium chlorid...SMILES: CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.[Cl-]InChIKey: SHXOKQKTZJXHHR-UHFFFAOYSA-NInChI: InChI=1S/C20H19N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12,21H,3-4H2,1-2H3;1H
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CC-90011, Inhibitor of lysine demethylase 1A
Synonyms: CC-90011 Free base | SCHEMBL17222702 | 1821307-10-1 | US10023543, Example 85 | 4-[2-(4-aminopiperidi...SMILES: N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)CInChIKey: NBAIXBAUHIQQGF-UHFFFAOYSA-NInChI: InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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5-Chloro-2-methoxytoluene
Cas Number: 3260-85-3Formula: C8H9ClOMolecular weight: 156.61Synonyms: W-106834 | CAS-3260-85-3 | Benzene, 4-chloro-1-methoxy-2-methyl- | 3-Hydroxy-2-methylcinchoninic aci...SMILES: CC1=C(C=CC(=C1)Cl)OCInChIKey: VDYDAUQHTVCCBX-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
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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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4-(3,4-Dimethoxyphenyl)thiazol-2-amine
Cas Number: 51837-85-5Formula: C11H12N2O2SMolecular weight: 236.29Synonyms: 51837-85-5|4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine|4-(3,4-Dimethoxy-phenyl)-thiazol-2-ylamine|4-...SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)N)OCInChIKey: QNLNRENPKAQTMJ-UHFFFAOYSA-NInChI: InChI=1S/C11H12N2O2S/c1-14-9-4-3-7(5-10(9)15-2)8-6-16-11(12)13-8/h3-6H,1-2H3,(H2,12,13)
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methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.2]octane-1-carboxylate
Cas Number: 2245109-85-5Formula: C16H27BO4Molecular weight: 294.19Synonyms: 2245109-85-5 | METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BICYCLO[2.2.2]OCTANE-1-CARBOXYL...SMILES: B1(OC(C(O1)(C)C)(C)C)C23CCC(CC2)(CC3)C(=O)OCInChIKey: ROEOLPDHZIGRCS-UHFFFAOYSA-NInChI: InChI=1S/C16H27BO4/c1-13(2)14(3,4)21-17(20-13)16-9-6-15(7-10-16,8-11-16)12(18)19-5/h6-11H2,1-5H3
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2-(6,7-Dihydro-5h-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
Cas Number: 923131-85-5Formula: C7H12N4Molecular weight: 152.2Synonyms: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine|923131-85-5|2-(6,7-Dihydro-5H-pyrrolo...SMILES: C1CC2=NN=C(N2C1)CCNInChIKey: GESFEOZCDXMGFO-UHFFFAOYSA-NInChI: InChI=1S/C7H12N4/c8-4-3-7-10-9-6-2-1-5-11(6)7/h1-5,8H2
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6-NITRO-O-ANISONITRILE
Cas Number: 38469-85-1Formula: C8H6N2O3Molecular weight: 178.149Synonyms: 2-Methoxy-6-nitrobenzonitrile|38469-85-1|6-Methoxy-2-nitrobenzonitrile|BENZONITRILE, 2-METHOXY-6-NIT...SMILES: COC1=CC=CC(=C1C#N)[N+](=O)[O-]InChIKey: ZHJPRHIYTNVTLI-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3
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Thionin acetate
Cas Number: 78338-22-4Formula: C12H9N3S·C2H4O2Molecular weight: 287.34Synonyms: Thioninacetat | Thionin acetate (Thionine acetate) | Thionin acetate salt, certified by the Biologic...SMILES: CC(=O)[O-].C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2InChIKey: JOIRQYHDJINFGA-UHFFFAOYSA-NInChI: InChI=1S/C12H9N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6,13H,14H2;1H3,(H,3,4)
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Dotriacontane
Formula: C32H66Molecular weight: 450.87Synonyms: DOTRIACONTANE|n-Dotriacontane|544-85-4|Bicetyl|NSC 6361|EINECS 208-881-5|UNII-7KSV90RN23|BRN 1783260...SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCInChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-NInChI: InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
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Omeprazole Sulfide
Cas Number: 73590-85-9Formula: C17H19N3O2SMolecular weight: 329.42Synonyms: UFIPRAZOLE|73590-85-9|Omeprazole sulfide|omeprazole sulphide|Omeprazole metabolite Omeprazole sulfid...SMILES: CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OCInChIKey: XURCIPRUUASYLR-UHFFFAOYSA-NInChI: InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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Gallocyanine
Formula: C15H13ClN2O5Molecular weight: 336.73Synonyms: GALLOCYANINE|1562-85-2|Gallocyanin|1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chlorid...SMILES: CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.[Cl-]InChIKey: AQSOTOUQTVJNMY-UHFFFAOYSA-NInChI: InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
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1H-indazol-4-ylmethanol
Cas Number: 709608-85-5Formula: C8H8N2OMolecular weight: 148.16Synonyms: (1H-INDAZOL-4-YL)METHANOL|709608-85-5|4-(Hydroxymethyl)-1H-indazole|1H-indazol-4-ylmethanol|4-Hydrox...SMILES: C1=CC(=C2C=NNC2=C1)COInChIKey: LOOWJTAKSUNLSR-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-4,11H,5H2,(H,9,10)
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4-Iodobutyl acetate
Cas Number: 40596-44-9Formula: C6H11IO2Molecular weight: 242.05Synonyms: 4-acetoxybutyl iodide | 4-IODOBUTYLACETATE | 1-Acetoxy-4-iodobutane | MFCD00010664 | 4-Iodobutyl ace...SMILES: CC(=O)OCCCCIInChIKey: FLPVVTDEKLGZDZ-UHFFFAOYSA-NInChI: InChI=1S/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
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tert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
Synonyms: 144163-85-9|tert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate|[(1S,3S,4S)-4-...SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)OInChIKey: UKFHOTNATOJBKZ-ACRUOGEOSA-NInChI: InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1
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2-(1-Piperidinyl)phenylboronic acid
Cas Number: 1050505-85-5Formula: C11H16BNO2Molecular weight: 205.1Synonyms: 1050505-85-5|2-(1-PIPERIDINYL)PHENYLBORONIC ACID|(2-(Piperidin-1-yl)phenyl)boronic acid|(2-piperidin...SMILES: B(C1=CC=CC=C1N2CCCCC2)(O)OInChIKey: NPZUBLWFOBRQAV-UHFFFAOYSA-NInChI: InChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
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Fmoc-PEG2-NHS ester
Cas Number: 1807534-85-5Formula: C26H28N2O8Molecular weight: 496.5Synonyms: FmocNH-PEG2-NHS ester | FmocNH-PEG2-CH2CH2COONHS | FMOC-PEG2-NHSESTER | MS-29222 | HY-126881 | AKOS0...SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: MLMVUZTWJNGUEN-UHFFFAOYSA-NInChI: InChI=1S/C26H28N2O8/c29-23-9-10-24(30)28(23)36-25(31)11-13-33-15-16-34-14-12-27-26(32)35-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,27,32)
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tert-butyl (3S)-4-[6-[(5-chloro-2-methoxy-3-pyridyl)amino]-3-pyridyl]-3-methyl-piperazine-1-carboxylate
Cas Number: 1433854-85-3Formula: C21H28N5O3ClMolecular weight: 433.93Synonyms: 1433854-85-3 | tert-Butyl (3S)-4-{6-[(5-chloro-2-methoxypyridin-3-yl)amino]pyridin-3-yl}-3-methylpip...SMILES: CC1CN(CCN1C2=CN=C(C=C2)NC3=C(N=CC(=C3)Cl)OC)C(=O)OC(C)(C)CInChIKey: KKFMFYGEYZKANS-AWEZNQCLSA-NInChI: InChI=1S/C21H28ClN5O3/c1-14-13-26(20(28)30-21(2,3)4)8-9-27(14)16-6-7-18(23-12-16)25-17-10-15(22)11-24-19(17)29-5/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenylboronic acid
Cas Number: 1025495-85-5Formula: C11H13BN2O2Molecular weight: 216Synonyms: 1025495-85-5|(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid|4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PH...SMILES: B(C1=CC=C(C=C1)N2C(=CC(=N2)C)C)(O)OInChIKey: OJUOPNGDUVRDFU-UHFFFAOYSA-NInChI: InChI=1S/C11H13BN2O2/c1-8-7-9(2)14(13-8)11-5-3-10(4-6-11)12(15)16/h3-7,15-16H,1-2H3
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