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Molecular Structure:
CCD No.:CCD00180808
XR 9051 HCL
CAS No.:
180422-22-4
Formula:C39 H38 N4 O5 . Cl H
MolWeight:679.213
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| Product Name： | XR 9051 HCL |
| CAS： | 180422-22-4 |
| English Synonyms： | XR 9051 HCL |
| MDL Number.： | MFCD00952136 |
| H bond acceptor： | 9 |
| H bond donor： | 2 |
| Smile： | Cn1/c(=C\c2ccccc2)/c(=O)[nH]/c(=C\c3cccc(c3)C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)/c1=O.Cl |
| InChi： | InChI=1S/C39H38N4O5.ClH/c1-42-34(22-27-8-5-4-6-9-27)38(45)41-33(39(42)46)21-28-10-7-11-30(20-28)37(44)40-32-14-12-26(13-15-32)16-18-43-19-17-29-23-35(47-2)36(48-3)24-31(29)25-43;/h4-15,20-24H,16-19,25H2,1-3H3,(H,40,44)(H,41,45);1H/b33-21-,34-22-; |
| InChiKey： | InChIKey=NJXUYZIBWDEBQS-VFRXXILGSA-N |
Basic Information
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