Products 350800-03-2

CAS 350800-03-2 appears in our catalog under these names: 6'-Guanidinonaltrindole Ditrifluoroacetate, 6’-Guanidinonaltrindole Ditrifluoroacetate, 6’-Guanidinonaltrindole Ditrifluoroacetate (1mg/ml in Acetonitrile). Offered by: TRC. Available pack sizes: 2,5mg, 25mg, 1x1ml.

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-8-yl]guanidine;bis(2,2,2-trifluoroacetic acid) (CAS 350800-03-2) 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-8-yl]guanidine;bis(2,2,2-trifluoroacetic acid). InChIKey: OLNPCNFQFSLIQZ-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-8-yl]guanidine;bis(2,2,2-trifluoroacetic acid)
InChIKeyOLNPCNFQFSLIQZ-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=C(C=C8)N=C(N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)