Brilacidin-15N4 Tetrahydrochloride

Product Name Brilacidin-15N4 Tetrahydrochloride
Alternate Names Brilacidin Stable Isotopes, Stable Isotopes of Brilacidin
CAT No. CS-T-93677
CAS No. 1224095-99-1(Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 940.88 g/mol
Mol. For. C40H50F6N1015N4O6
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Brilacidin
Therapeutic COVID19
Smileys O=C(C1=NC=NC(C(NC2=CC(C(F)(F)F)=CC(NC(CCCCNC([15NH2])=[15NH])=O)=C2O[C@H]3CNCC3)=O)=C1)NC4=CC(C(F)(F)F)=CC(NC(CCCCNC([15NH2])=[15NH])=O)=C4O[C@H]5CNCC5.[H]Cl
Canonical Smiles C1CNCC1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4OC5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N.Cl.Cl.Cl.Cl
InchIKey QTHBCQCKYVOFDR-PIJQHSLXSA-N
Inchl InChI=1S/C40H50F6N14O6.4ClH/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50;;;;/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54);4*1H/t23-,24-;;;;/m1..../s1
IUPAC 4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;tetrahydrochloride
Controlled No
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