5'-GUANIDINONALTRINDOLE DI(TRIFLUOROACETATE) SALT HYDRATE

CAS No.
CCD No.
CCD01001482
Formula
C27 H29 N5 O2 . 2 C2 H F3 O2 . H2 O
MolWeight
701.618

Basic Information

Product Name: 5'-GUANIDINONALTRINDOLE DI(TRIFLUOROACETATE) SALT HYDRATE
English Synonyms: 5'-GUANIDINONALTRINDOLE DI(TRIFLUOROACETATE) SALT HYDRATE ; GNTI DI(TRIFLUOROACETATE) SALT HYDRATE
MDL Number.: MFCD11045949
H bond acceptor: 7
H bond donor: 5
Smile: c1cc2c3c(c1)O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5(Cc6c4[nH]c7c6ccc(c7)NC(=N)N)O)CC8CC8.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.O
InChi: InChI=1S/C27H29N5O2.2C2HF3O2.H2O/c28-25(29)30-16-6-7-17-18-12-27(33)21-10-15-2-1-3-20-22(15)26(27,8-9-32(21)13-14-4-5-14)24(34-20)23(18)31-19(17)11-16;2*3-2(4,5)1(6)7;/h1-3,6-7,11,14,21,24,31,33H,4-5,8-10,12-13H2,(H4,28,29,30);2*(H,6,7);1H2/t21-,24+,26+,27-;;;/m1.../s1
InChiKey: InChIKey=IWKJFBSYNOJCQL-KEBSNPBASA-N

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