Analyte Name

TAMRA-PEG4-NHS Ester

CAS Number

2171068-83-8

Molecular Formula

C40H46N4O12

Molecular Weight

1549.65

Accurate Mass

1548.62

SMILES

C/[N+](C)=C1C=CC2=C(C3=C(OC2=C/1)C=C(N(C)C)C=C3)C4=CC(C(NCCOCCOCCOCCOCCC(ON(C5=O)C(CC5)=O)=O)=O)=CC=C4C([O-])=O.O=C(NCCOCCOCCOCCOCCC(ON(C6=O)C(CC6)=O)=O)C7=CC=C(C(C8=C(O9)C=C(N(C)C)C=C8)=C(C=C/%10)C9=CC%10=[N+](C)/C)C(C([O-])=O)=C7

InChI

InChI=1S/2C40H46N4O12/c1-42(2)27-6-9-30-33(24-27)55-34-25-28(43(3)4)7-10-31(34)38(30)32-23-26(5-8-29(32)40(49)50)39(48)41-14-16-52-18-20-54-22-21-53-19-17-51-15-13-37(47)56-44-35(45)11-12-36(44)46;1-42(2)27-6-9-30-33(24-27)55-34-25-28(43(3)4)7-10-31(34)38(30)29-8-5-26(23-32(29)40(49)50)39(48)41-14-16-52-18-20-54-22-21-53-19-17-51-15-13-37(47)56-44-35(45)11-12-36(44)46/h2*5-10,23-25H,11-22H2,1-4H3,(H-,41,48,49,50)

IUPAC

2-(6-(Dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)-4-((15-((2,5-dioxopyrrolidin-1-yl)oxy)-15-oxo-3,6,9,12-tetraoxapentadecyl)carbamoyl)benzoate--2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)-5-((15-((2,5-dioxopyrrolidin-1-yl)oxy)-15-oxo-3,6,9,12-tetraoxapentadecyl)carbamoyl)benzoate (1/1)

Country of Origin

CANADA

Product Format

Neat