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Rifater
[CAS# 161935-14-4]

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CAS#: 161935-14-4
Product: Rifater
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Identification
Name Rifater
Synonyms Rifater; Aids-093479; Aids093479
Molecular Structure CAS#: 161935-14-4, Rifater
Molecular Formula C54H70N10O14
Molecular Weight 1083.21
CAS Registry Number 161935-14-4
SMILES [C@H]1([C@H](O)[C@@H]([C@@H](O)[C@@H](C)\C=C\C=C(C(=O)NC4=C(O)C3=C(C2=C(O[C@](O/C=C/[C@H](OC)[C@H]([C@H]1OC(=O)C)C)(C2=O)C)C(=C3O)C)C(=O)\C4=C\NN5CCN(CC5)C)\C)C)C.C6=C(C=CN=C6)C(=O)NN.C7=NC=CN=C7C(=O)N
InChI 1S/C43H58N4O12.C6H7N3O.C5H5N3O/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;7-9-6(10)5-1-3-8-4-2-5;6-5(9)4-3-7-1-2-8-4/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);1-4H,7H2,(H,9,10);1-3H,(H2,6,9)/b12-11+,19-14+,22-13-,28-20+;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;;/m0../s1
InChIKey ISQNHBQZTYOGKM-MUPPAYQBSA-N
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