Analyte Name

NF449

CAS Number

627034-85-9

Molecular Formula

C41H24N6Na8O29S8

Molecular Weight

1505.09

Accurate Mass

1503.7535

SMILES

O=C(C1=CC(C(NC2=C(S(=O)(O[Na])=O)C=C(S(=O)(O[Na])=O)C=C2)=O)=CC(NC(NC3=CC(C(NC4=CC=C(S(=O)(O[Na])=O)C=C4S(=O)(O[Na])=O)=O)=CC(C(NC5=C(S(=O)(O[Na])=O)C=C(S(=O)(O[Na])=O)C=C5)=O)=C3)=O)=C1)NC6=C(S(=O)(O[Na])=O)C=C(S(=O)(O[Na])=O)C=C6

InChI

InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8

IUPAC

octasodium;4-[[3-[[3,5-bis[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfonatophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat

Purity

>95% (HPLC)