
| CAS Number | 161167-65-3 |
| Catalog Number | AG00ATF6 |
| Chemical Name | Rolofylline metabolite M1-cis |
| IUPAC Name | 8-(9-hydroxy-3-tricyclo[3.3.1.03,7]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione |
| InChI | InChI=1S/C20H28N4O3/c1-3-5-23-16-14(17(26)24(6-4-2)19(23)27)21-18(22-16)20-9-11-7-13(20)8-12(10-20)15(11)25/h11-13,15,25H,3-10H2,1-2H3,(H,21,22) |
| InChI Key | RQXXBTUEEJCGNQ-UHFFFAOYSA-N |
| MDL Number | MFCD22380765 |
| Molecular Formula | C20H28N4O3 |
| Molecular Weight | 372.4613 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC3CC(C4)C5O |
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