Analyte Name

NIR-641 N-Succinimidyl Ester

CAS Number

190714-26-2

Molecular Formula

C37H44N3O4 • Cl

Molecular Weight

630.22

Accurate Mass

629.3

SMILES

[Cl-].O=C(ON1C(=O)CCC1=O)CCCCCN2C=3C=CC=CC3C(C2=CC=CC=CC4=[N+](C=5C=CC=CC5C4(C)C)CC)(C)C

InChI

InChI=1S/C37H44N3O4.ClH/c1-6-38-29-19-14-12-17-27(29)36(2,3)31(38)21-9-7-10-22-32-37(4,5)28-18-13-15-20-30(28)39(32)26-16-8-11-23-35(43)44-40-33(41)24-25-34(40)42;/h7,9-10,12-15,17-22H,6,8,11,16,23-26H2,1-5H3;1H/q+1;/p-1

IUPAC

2-(5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium chloride

Alternate CAS Number

Free Base: 756457-35-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat