5'-Guanidinonaltrindole (TFA)

cas: 219655-57-9 — see every product listed under this CAS number, including other names

5'-Guanidinonaltrindole (TFA) (CAS 219655-57-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas219655-57-9
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Structural formula: {0} (CAS {1})

2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine;bis(2,2,2-trifluoroacetic acid) (CAS 219655-57-9) is a chemical compound with the molecular formula C31H31F6N5O7 and a molecular weight of 699.6 g/mol. IUPAC name: 2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine;bis(2,2,2-trifluoroacetic acid). InChIKey: LGXCKWXJRPYRLW-AWCPWCJTSA-N.

Identity
Molecular formulaC31H31F6N5O7
Molecular weight699.6 g/mol
IUPAC name2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine;bis(2,2,2-trifluoroacetic acid)
InChIKeyLGXCKWXJRPYRLW-AWCPWCJTSA-N
SMILESC1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

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