basic_info |
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Product_Name: | NIFEKALANT |
CAS: | 130636-43-0 |
EnglishSynonyms: | 6-[2-[2-HYDROXYETHYL-[3-(4-NITROPHENYL)PROPYL]AMINO]ETHYLAMINO]-1,3-DIMETHYL-PYRIMIDINE-2,4-DIONE ; 6-((2-((2-HYDROXYETHYL)(3-(P-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYL-URACIL ; NIFEKALANT ; 6-((2-((2-HYDROXYETHYL)(3-(4-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE |
pro_mdlNumber: | MFCD11109267 |
pro_acceptors: | 10 |
pro_donors: | 2 |
pro_smile: | Cn1c(cc(=O)n(c1=O)C)NCCN(CCCc2ccc(cc2)[N+](=O)[O-])CCO |
InChi: | InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3 |
InChiKey: | InChIKey=OEBPANQZQGQPHF-UHFFFAOYSA-N |
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