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Search results for: '226-198-0'
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2-ETHYL-2-PHENYLBUTYRONITRILE
Cas Number: 5336-57-2Formula: C12H15NMolecular weight: 173.26Synonyms: 2-Ethyl-2-phenylbutyronitrile|2-ethyl-2-phenylbutanenitrile|5336-57-2|NSC343|EINECS 226-257-0|AI3-33...SMILES: CCC(CC)(C#N)C1=CC=CC=C1InChIKey: NIWOFSGCBJZYJQ-UHFFFAOYSA-NInChI: InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
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Leonurine hydrochloride
Cas Number: 24735-18-0Formula: C14H22ClN3O5Molecular weight: 347.8Synonyms: 24735-18-0|Leonurine hydrochloride|4-Guanidinobutyl 4-hydroxy-3,5-dimethoxybenzoate hydrochloride|SC...SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.ClInChIKey: GHVZIMAVDJZQGP-UHFFFAOYSA-NInChI: InChI=1S/C14H21N3O5.ClH/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16;/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17);1H
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3,5,5-Trimethylhexanal
Formula: C9H18OMolecular weight: 142.24Synonyms: (+/-)-3,5,5-TRIMETHYLHEXANAL | CHEBI:179602 | T0940 | Hexanal, 3,5,5-trimethl- | Isononylaldehyde | ...SMILES: CC(CC=O)CC(C)(C)CInChIKey: WTPYRCJDOZVZON-UHFFFAOYSA-NInChI: InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
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Cyclohexylacetic Acid
Cas Number: 5292-21-7Formula: C8H14O2Molecular weight: 142.2Synonyms: CYCLOHEXYLACETIC ACID|Cyclohexaneacetic acid|5292-21-7|2-cyclohexylacetic acid|Cyclohexylethanoic ac...SMILES: C1CCC(CC1)CC(=O)OInChIKey: LJOODBDWMQKMFB-UHFFFAOYSA-NInChI: InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
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3-Bromo-4-chlorobenzotrifluoride
Formula: C7H3BrClF3Molecular weight: 259.45Synonyms: EN300-266447 | Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)- | EINECS 207-226-0 | FT-0615147 | MFCD...SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)ClInChIKey: APSISOSWYXCEQX-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
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Surfen dihydrochloride
Cas Number: 5424-37-3Formula: C21H22Cl2N6OMolecular weight: 445.35Synonyms: AKOS030527176 | EINECS 226-566-0 | Tox21_110013 | 1,3-Bis(4-amino-2-methyl-6-quinolyl)urea dihydroch...SMILES: CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl.ClInChIKey: GKQYGRWQCWWSHN-UHFFFAOYSA-NInChI: InChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
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4-Acetamidopyridine
Cas Number: 5221-42-1Formula: C7H8N2OMolecular weight: 136.15Synonyms: F1018-1441 | Pyridine, 4-acetamido- | AKOS000281984 | 4-(Acetylamino)pyridine | BRN 0113907 | N-Pyri...SMILES: CC(=O)NC1=CC=NC=C1InChIKey: BIJAWQUBRNHZGE-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)
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Ethyl 2-bromocaprylate
Cas Number: 5445-29-4Formula: C10H19BrO2Molecular weight: 251.16Synonyms: ?ETHYL 2-BROMOOCTANOATE | EINECS 226-647-0 | a-Bromo-octanoicacidethylester | FT-0611589 | AKOS01591...SMILES: CCCCCCC(C(=O)OCC)BrInChIKey: JIQJOKSCSVMZAN-UHFFFAOYSA-NInChI: InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
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1-thien-2-ylbutan-1-one
Cas Number: 5333-83-5Formula: C8H10OSMolecular weight: 154.23Synonyms: 2-n-Butyrylthiophene | AKOS003956338 | 1-(THIOPHEN-2-YL)-BUTANE-1-ONE | EINECS 226-246-0 | NSC2350 |...SMILES: CCCC(=O)C1=CC=CS1InChIKey: YXHIINNJOGKPLF-UHFFFAOYSA-NInChI: InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
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4-Cyclohexyl-1-nitrobenzene
Cas Number: 5458-48-0Formula: C12H15NO2Molecular weight: 205.3Synonyms: 1-Cyclohexyl-4-nitrobenzene|5458-48-0|4-Cyclohexyl-1-nitrobenzene|6BET7K4YQ7|4-CYCLOHEXYL-1-NITROBEN...SMILES: C1CCC(CC1)C2=CC=C(C=C2)[N+](=O)[O-]InChIKey: FUVKJYZTELKRRB-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
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2-Thiopheneethanol
Formula: C6H8OSMolecular weight: 128.19Synonyms: 2-(thiophen-2-yl)ethyl alcohol | 2-(2-Hydroxyethyl)thiophene | P10012 | N-Butanoylglycine | 2-(thiop...SMILES: C1=CSC(=C1)CCOInChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-NInChI: InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
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2-Chloro-6-nitrobenzoic acid
Cas Number: 5344-49-0Formula: C7H4ClNO4Molecular weight: 201.56Synonyms: 2-Chloro-6-nitrobenzoic acid|5344-49-0|2-chloro-6-nitro-benzoic acid|6-Chloro-2-nitrobenzoic acid|Be...SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]InChIKey: JYHOMEFOTKWQPN-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
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Sodium 1,2-ethanedisulfonate
Formula: NaO3SCH2CH2SO3NaMolecular weight: 234.16Synonyms: Sodiumethane-1,2-disulfonate | 1,2-Ethane disulfonic acid, disodium salt | disodium ethane-1,2-disul...SMILES: C(CS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]InChIKey: BJTHMUJCKBTCFR-UHFFFAOYSA-LInChI: InChI=1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
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4-Phenylcyclohexanol
Cas Number: 5437-46-7 EC Number: ‘226-613-5; 230-841-0; 227-295-0Formula: C12H16OMolecular weight: 176.25Synonyms: CCG-356380 | NSC16118 | 4-phenyl-cyclohexan-1-ol | 4-Phenylcyclohexan-1-ol | cis-4-phenylcyclohexano...SMILES: C1CC(CCC1C2=CC=CC=C2)OInChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
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Cis-4-Phenylcyclohexan-1-ol
Cas Number: 7335-12-8 EC Number: 227-295-0, 230-841-0, 226-613-5Formula: C12H16OMolecular weight: 176.25Synonyms: CCG-356380 | NSC16118 | 4-phenyl-cyclohexan-1-ol | 4-Phenylcyclohexan-1-ol | cis-4-phenylcyclohexano...SMILES: C1CC(CCC1C2=CC=CC=C2)OInChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
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2-Chloro-3,5-dimethylphenol
Cas Number: 5538-41-0 EC Number: ‘226-898-6Formula: C8H9ClOMolecular weight: 156.61Synonyms: DTXSID5063946 | A857013 | 2-chloro-3,5-dimethylphenol | 2-chloro-3,5-di-methylphenol | AKOS006327292...SMILES: CC1=CC(=C(C(=C1)O)Cl)CInChIKey: ZXPLGLMEXWSLCX-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3
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Semicarbazide hydrochloride
Formula: CH6ClN3OMolecular weight: 111.53Synonyms: NCGC00261781-01 | AKOS015848282 | CH6ClN3O | semicarbazide hydrocloride | EN300-19461 | DTXSID402024...SMILES: C(=O)(N)NN.ClInChIKey: XHQYBDSXTDXSHY-UHFFFAOYSA-NInChI: InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
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Oritinib
Cas Number: 2035089-28-0Formula: C31H37N7O2Molecular weight: 539.67SMILES: O=C(NC1=CC(NC2=NC(C3=C(CCCC4)N4C5=C3C=CC=C5)=CC=N2)=C(C=C1N(CCN(C)C)C)OC)C=C
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Oritinib
Cas Number: 2035089-28-0(DMSO)Formula: C31H37N7O2Molecular weight: 539.67SMILES: O=C(NC1=CC(NC2=NC(C3=C(CCCC4)N4C5=C3C=CC=C5)=CC=N2)=C(C=C1N(CCN(C)C)C)OC)C=C
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N1,N1-Diethyl-N3-methyl-1,3-propanediamine
Cas Number: 5459-95-0Formula: C8H20N2Molecular weight: 144.26Synonyms: NSC 400873 | [3-(diethylamino)propyl](methyl)amine | 1,3-Propanediamine, N1,N1-diethyl-N3-methyl- | ...SMILES: CCN(CC)CCCNCInChIKey: SMJVVYQWUFKTKZ-UHFFFAOYSA-NInChI: InChI=1S/C8H20N2/c1-4-10(5-2)8-6-7-9-3/h9H,4-8H2,1-3H3
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PAMAM dendrimer, ethylenediamine core, generation 2.0 solution
Cas Number: 93376-66-0Formula: [NH2(CH2)2NH2]:(G=2);dendri PAMAM(NH2)16Molecular weight: 3256.18Synonyms: PAMAM, PAMAM-G 2SMILES: See moreInChIKey: QYMWEDAKQRTCGD-UHFFFAOYSA-NInChI: See more
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4-(4-Nitrophenylazo)-1-naphthol
Formula: C16H11N3O3Molecular weight: 293.28Synonyms: 4-((4-Nitrophenyl)azo)-1-naphthalenol | MLS002637789 | AMETHYSTUM | EINECS 226-129-4 | 1-Naphthaleno...SMILES: C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]InChIKey: MDLLSWJQIIAUQU-UHFFFAOYSA-NInChI: InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H
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4′-tert-Butyl-2′,6′-dimethylacetophenone
Cas Number: 2040-10-0Formula: (CH3)3CC6H2(CH3)2COCH3Molecular weight: 204.31Synonyms: 1-(4-tert-butyl-2,6-dimethylphenyl)ethan-1-one | Acetamide, N-(4-(diethylamino)phenyl)- | Ethanone,1...SMILES: CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)CInChIKey: JNHLHPMTMTYLCP-UHFFFAOYSA-NInChI: InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
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