Molecular Structure:
CCD No.:CCD00180119
XB 596
CAS No.:
153217-83-5
Formula:C31 H25 N5 O8 . C H4 O3 S
MolWeight:691.671
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| Product Name： | XB 596 |
| CAS： | 153217-83-5 |
| English Synonyms： | XB 596 |
| MDL Number.： | MFCD00922637 |
| H bond acceptor： | 13 |
| H bond donor： | 1 |
| Smile： | CS(=O)(=O)O.c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)CCCCNCCCN4C(=O)c5cccc6c5c(cc(c6)[N+](=O)[O-])C4=O)[N+](=O)[O-] |
| InChi： | InChI=1S/C31H25N5O8.CH4O3S/c37-28-22-8-3-6-18-14-20(35(41)42)16-24(26(18)22)30(39)33(28)12-2-1-10-32-11-5-13-34-29(38)23-9-4-7-19-15-21(36(43)44)17-25(27(19)23)31(34)40;1-5(2,3)4/h3-4,6-9,14-17,32H,1-2,5,10-13H2;1H3,(H,2,3,4) |
| InChiKey： | InChIKey=RASVFEKZOSGUBR-UHFFFAOYSA-N |
Basic Information
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