Analyte Name

Brilacidin-15N4 Tetrahydrochloride

Molecular Formula

C40H54Cl4F6N10¹⁵N4O6

Molecular Weight

1086.73

Accurate Mass

1084.29

SMILES

O=C(C1=CC(C(NC2=CC(C(F)(F)F)=CC(NC(CCCCNC([15NH2])=[15NH])=O)=C2O[C@H]3CNCC3)=O)=NC=N1)NC4=C(O[C@@H]5CCNC5)C(NC(CCCCNC([15NH2])=[15NH])=O)=CC(C(F)(F)F)=C4.Cl.Cl.Cl.Cl

InChI

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/i47+1,48+1,49+1,50+1;;;;

Unlabelled CAS Number

1224095-99-1

SIL Type

Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat