Catalog Number:
AG00ABMY
Chemical Name:
Arv-825
CAS Number:
1818885-28-7
Molecular Formula:
C46H47ClN8O9S
Molecular Weight:
923.4316
MDL Number:
MFCD29472237
IUPAC Name:
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide
InChI:
InChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36?/m0/s1
InChI Key:
RWLOGRLTDKDANT-TYIYNAFKSA-N
SMILES:
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOc1ccc(cc1)NC(=O)C[C@@H]1N=C(c3ccc(cc3)Cl)c3c(n4c1nnc4C)sc(c3C)C)ccc2
