Identification
| Name |
7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]Theophyline |
| Synonyms |
7-[2-[4-[(4-Chlorophenyl)Methyl]Piperazin-1-Yl]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-[4-(4-Chlorobenzyl)Piperazin-1-Yl]Ethyl]-1,3-Dimethyl-Xanthine |
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| Molecular Structure |
![CAS#: 19971-80-3, 7-[2-[4-[(4-Chlorophenyl)Methyl]-1-Piperazinyl]Ethyl]Theophyline](/moreStructures/19971-80-3.gif) |
| Molecular Formula |
C20H25ClN6O2 |
| Molecular Weight |
416.91 |
| CAS Registry Number |
19971-80-3 |
| SMILES |
C1=CC(=CC=C1Cl)CN2CCN(CC2)CC[N]3C4=C(N=C3)N(C(=O)N(C4=O)C)C |
| InChI |
1S/C20H25ClN6O2/c1-23-18-17(19(28)24(2)20(23)29)27(14-22-18)12-11-25-7-9-26(10-8-25)13-15-3-5-16(21)6-4-15/h3-6,14H,7-13H2,1-2H3 |
| InChIKey |
MSCBOUJTRMBGHM-UHFFFAOYSA-N |
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