2-[22-(Cyclopropylmethyl)-2,16-Dihydroxy-14-Oxa-11,22-Diazaheptacyclo[13.9.1.0^1,13.0^2,21.0^4,12.0^5,10.0^19,25]Pentacosa-4(12),5,7,9,15(25),16,18-Heptaen-7-Yl]Guanidine Trifluoroacetate (1:2)
[CAS# 219655-57-9]

Identification

• Name: 2-[22-(Cyclopropylmethyl)-2,16-Dihydroxy-14-Oxa-11,22-Diazaheptacyclo[13.9.1.0^1,13.0^2,21.0^4,12.0^5,10.0^19,25]Pentacosa-4(12),5,7,9,15(25),16,18-Heptaen-7-Yl]Guanidine Trifluoroacetate (1:2)
• Synonyms: 2-[22-(Cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0^1,13.0^2,21.0^4,12.0^5,10.0^19,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]guanidine trifluoroacetate (1:2); 5'-Guanidinonaltrindole di(trifluoroacetate) salt hydrate; Acetic acid, 2,2,2-trifluoro-, compd. with guanidine, N''-[7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-1,8a-dihydroxy-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-11-yl]- (2:1)
• Molecular Formula: C₃₁H₃₁F₆N₅O₇
• Molecular Weight: 699.60
• CAS Registry Number: 219655-57-9
• SMILES: c1cc2c(cc1N=C(N)N)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• InChI: 1S/C27H29N5O3.2C2HF3O2/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13;2*3-2(4,5)1(6)7/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30);2*(H,6,7)
• InChIKey: LGXCKWXJRPYRLW-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)