Molecular Structure:
CCD No.:CCD03970455
XAC HCL
CAS No.:
96865-92-8
Formula:C21 H28 N6 O4 . Cl H
MolWeight:464.951
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| Product Name： | XAC HCL |
| CAS： | 96865-92-8 |
| English Synonyms： | XANTHINE AMINE CONGENER HCL ; XAC HCL |
| MDL Number.： | MFCD18086858 |
| H bond acceptor： | 10 |
| H bond donor： | 3 |
| Smile： | CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)OCC(=O)NCCN.Cl |
| InChi： | InChI=1S/C21H28N6O4.ClH/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22;/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25);1H |
| InChiKey： | InChIKey=IVOSTHCDPHGPAS-UHFFFAOYSA-N |
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