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Search results for: '‘700-766-2'

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  1. 2-Chloro-3-(hydroxymethylene)cyclohex-1-enecarbaldehyde
    1 Citations
    Cas Number:  61010-04-6       EC Number: ‘700-766-2
    Formula:  C8H9ClO2
    Molecular weight:  172.61
    Synonyms:  2-chloro-3-hydroxymethylene-cyclohex-1-enecarbaldehyde | 1-Cyclohexene-1-carboxaldehyde, 2-chloro-3-...
    SMILES:  C1CC(=CO)C(=C(C1)C=O)Cl
    InChIKey:  JWUQFQYYMGMPKE-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H9ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h4-5,10H,1-3H2
  2. TAK-700 (Orteronel)
    Cas Number:  426219-18-3
    Formula:  C18H17N3O2
    Molecular weight:  307.35
    Synonyms:  CHEBI:94965 | FT-0773259 | AKOS015919494 | TAK-700; Orteronel | A903530 | H-Dab-OH | Oteronel | Pres...
    SMILES:  CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
    InChIKey:  OZPFIJIOIVJZMN-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
  3. Gadolinium Oxalate hydrate
    Cas Number:  867-64-1       EC Number: 212-766-5
    Formula:  C6Gd2O12•xH2O
    Molecular weight:  578.56(anhy)
    Synonyms:  Gadolinium oxalate | EINECS 212-766-5 | Gadolinium, [m-[ethanedioato(2-)-kO1,kO'2:kO2,kO'1]]bis[etha...
    SMILES:  C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Gd+3].[Gd+3]
    InChIKey:  SQORATIMOBOFKR-UHFFFAOYSA-H
    InChI:  InChI=1S/3C2H2O4.2Gd/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
  4. MF-766
    Cas Number:  1050656-06-8(DMSO)
    Formula:  C27H21F3N2O3
    Molecular weight:  478.46
    SMILES:  C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC4=C3N(C=C4)CC5=CC=C(C=C5)C(F)(F)F
  5. 1-[2-(2-Hydroxyethoxy)ethyl]piperazine
    1 Citations
    Cas Number:  13349-82-1
    Formula:  C8H18N2O2
    Molecular weight:  174.24
    Synonyms:  AKOS005254528 | 2-(2-(Piperazin-1-yl)ethoxy)ethanol | EC 700-022-7 | UNII-WWT5E4KNO3 | Ethanol, 2-[2...
    SMILES:  C1CN(CCN1)CCOCCO
    InChIKey:  FLNQAPQQAZVRDA-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
  6. MF-766
    Cas Number:  1050656-06-8
    Formula:  C27H21F3N2O3
    Molecular weight:  478.46
    Synonyms:  EX-A5897 | BDBM50319837 | AKOS040759910 | 4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbo...
    SMILES:  C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC4=C3N(C=C4)CC5=CC=C(C=C5)C(F)(F)F
    InChIKey:  BWXAZFCPGFKANL-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)
  7. 2-(Trifluoromethyl)benzenesulfonyl Chloride
    Cas Number:  776-04-5
    Formula:  C7H4ClF3O2S
    Molecular weight:  244.61
    Synonyms:  2-(Trifluoromethyl)benzenesulfonyl chloride | 2-(trifluoromethyl)-benzenesulfonyl chloride | DTXSID0...
    SMILES:  C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl
    InChIKey:  ZIZGWNOAHUCACM-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
  8. Quinacrine dihydrochloride
    4 Citations
    Cas Number:  69-05-6       EC Number: 200-700-8
    Formula:  C23H30ClN3O·2HCl
    Molecular weight:  472.88
    Synonyms:  N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride | 4-N-(6-chloro...
    SMILES:  CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl
    InChIKey:  UDKVBVICMUEIKS-UHFFFAOYSA-N
    InChI:  InChI=1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H
  9. 4,5-Dichloroaniline-2-sulfonic Acid
    Cas Number:  6331-96-0
    Formula:  C6H5Cl2NO3S
    Molecular weight:  242.07
    Synonyms:  N,N''-(4-Methyl-m-phenylene)bis(N',N'-dimethylurea) | 2-amino-4,5-dichlorobenzenesulfonic acid | SCH...
    SMILES:  C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)O)N
    InChIKey:  AKLDPNVZTZIVFA-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)
  10. 5-Fluoro-1(3H)-isobenzofuranone
    Cas Number:  700-85-6
    Formula:  C8H5FO2
    Molecular weight:  152.1
    Synonyms:  5-Fluoroisobenzofuran-1(3H)-one|700-85-6|5-Fluoro-1(3h)-isobenzofuranone|5-FLUORO-3H-2-BENZOFURAN-1-...
    SMILES:  C1C2=C(C=CC(=C2)F)C(=O)O1
    InChIKey:  KKDJJBAMSYLYQS-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5FO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
  11. Methyl cyclohexylacetate
    Cas Number:  14352-61-5
    Formula:  C6H11CH2CO2CH3
    Molecular weight:  156.22
    Synonyms:  methyl 2-cyclohexylacetate|14352-61-5|Methyl cyclohexylacetate|Methylcyclohexylacetate|Methyl cycloh...
    SMILES:  COC(=O)CC1CCCCC1
    InChIKey:  IMXBRVLCKXGWSS-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
  12. 2-Chloro-L-mandelic Acid
    Cas Number:  52950-19-3
    Formula:  C8H7ClO3
    Molecular weight:  186.59
    Synonyms:  A870862 | S-O-CHLOROMANDELICACID | (S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid | EC 700-307-6 | SCHE...
    SMILES:  C1=CC=C(C(=C1)C(C(=O)O)O)Cl
    InChIKey:  RWOLDZZTBNYTMS-ZETCQYMHSA-N
    InChI:  InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
  13. Labetalone HCl
    Cas Number:  96441-14-4
    Formula:  C19H23ClN2O3
    Molecular weight:  362.85
    Synonyms:  2-hydroxy-5-{2-[(4-phenylbutan-2-yl)amino]acetyl}benzamide hydrochloride | Labetalone (hydrochloride...
    SMILES:  CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
    InChIKey:  DJHFVUYXWAEVRA-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H22N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H
  14. 2',4'-Dichloropropiophenone
    Cas Number:  37885-41-9
    Formula:  C9H8Cl2O
    Molecular weight:  203.06
    Synonyms:  2',4'-Dichloropropiophenone | 2,4-Dichloropropiophenone | D3937 | 1-(2,4-DICHLOROPHENYL)-1-PROPANONE...
    SMILES:  CCC(=O)C1=C(C=C(C=C1)Cl)Cl
    InChIKey:  FBMTWRZQBRHOPF-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
  15. Triisopropylsilyl Methacrylate
    1 Citations
    Cas Number:  134652-60-1
    Formula:  C13H26O2Si
    Molecular weight:  242.43
    Synonyms:  triisopropylsilyl methacrylate|134652-60-1|2-Propenoic acid, 2-methyl-, tris(1-methylethyl)silyl est...
    SMILES:  CC(C)[Si](C(C)C)(C(C)C)OC(=O)C(=C)C
    InChIKey:  KNNOZYMZRGTZQM-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H26O2Si/c1-9(2)13(14)15-16(10(3)4,11(5)6)12(7)8/h10-12H,1H2,2-8H3
  16. TAK-700 (Orteronel)
    Cas Number:  426219-18-3(DMSO)
    Formula:  C18H17N3O2
    Molecular weight:  307.35
    Synonyms:  (S)-6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-e]imidazol-7-yl)-N-methyl-2-naphthamide
    SMILES:  CNC(=O)C1=CC=C2C=C(C=CC2=C1)C3(O)CC[N]4C=NC=C34
  17. γ-Thiobutyrolactone
    Cas Number:  1003-10-7
    Formula:  C4H6OS
    Molecular weight:  102.15
    Synonyms:  BUTYRIC ACID, 4-MERCAPTO-, .GAMMA.-(THIOLACTONE) | Thiacyclopentan-2-one | W15445 | 2-Thiolanone | 5...
    SMILES:  C1CC(=O)SC1
    InChIKey:  KMSNYNIWEORQDJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
  18. 2,4-Diamino-6-(hydroxymethyl)pteridine
    14 Citations
    Cas Number:  945-24-4
    Formula:  C7H8N6O
    Molecular weight:  192.18
    Synonyms:  UNII-1RU16O4RO0 | 4,6-Diamino-1,3,5-triazin-2(1H)-one | Benzo[d][1,2,3]triazin-4(3H)-one | SD-096950...
    SMILES:  C1=C(N=C2C(=NC(=NC2=N1)N)N)CO
    InChIKey:  CYNARAWTVHQHDI-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)
  19. 3-Undecanone
    1 Citations
    Cas Number:  2216-87-7
    Formula:  C11H22O
    Molecular weight:  170.3
    Synonyms:  LMFA12000060 | ETHYL n-OCTYL KETONE | ?3-UNDECANONE | CAA21687 | SCHEMBL888107 | SCHEMBL11024619 | E...
    SMILES:  CCCCCCCCC(=O)CC
    InChIKey:  YNMZZHPSYMOGCI-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
  20. (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
    1 Citations
    Cas Number:  877397-65-4
    Formula:  C8H7Cl2FO
    Molecular weight:  209.04
    Synonyms:  MFCD09863793 | AU-004/43509922 | EC 700-699-9 | DTXSID90468534 | EN300-52716 | AKOS015840146 | AM200...
    SMILES:  CC(C1=C(C=CC(=C1Cl)F)Cl)O
    InChIKey:  JAOYKRSASYNDGH-BYPYZUCNSA-N
    InChI:  InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
  21. N-Methyl-2-Propenamide
    Cas Number:  1187-59-3
    Formula:  C4H7NO
    Molecular weight:  85.1
    Synonyms:  N-Methylacrylamide|1187-59-3|N-methylprop-2-enamide|2-Propenamide, N-methyl-|N-Methyl-2-propenamide|...
    SMILES:  CNC(=O)C=C
    InChIKey:  YPHQUSNPXDGUHL-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
  22. 1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanol
    Cas Number:  100442-33-9
    Formula:  C20H27NO
    Molecular weight:  297.44
    Synonyms:  2-Propanol, 1-[(3,3-diphenylpropyl)methylamino]-2-methyl- | 1-((3,3-Diphenylpropyl)(methyl)amino)-2-...
    SMILES:  CC(C)(CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2)O
    InChIKey:  MQWDISMNBYOLAB-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
  23. 2,4-Dinitro-5-fluoroaniline
    Cas Number:  367-81-7
    Formula:  C6H4FN3O4
    Molecular weight:  201.11
    Synonyms:  2,4-Dinitro-5-fluoroaniline | EINECS 206-700-4 | AS-45836 | NSC88336 | NSC-88336 | AM61937 | A19759 ...
    SMILES:  C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N
    InChIKey:  RAGRTYREMCPEIV-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2
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