3-[N-(2-Carboxyethyl)methylamino]-7-[N-ethyl(3-sulfonatopropyl)amino]phenoxazin-5-ium Sodium

Analyte Name

3-[N-(2-Carboxyethyl)methylamino]-7-[N-ethyl(3-sulfonatopropyl)amino]phenoxazin-5-ium Sodium

Molecular Formula

C21H24N3NaO6S

Molecular Weight

469.49

Accurate Mass

469.13

SMILES

O=S(CCCN(C1=CC2=[O+]C3=C(C=CC(N(CCC([O-])=O)C)=C3)N=C2C=C1)CC)([O-])=O.[Na+]

InChI

InChI=1S/C21H25N3O6S.Na/c1-3-24(10-4-12-31(27,28)29)16-6-8-18-20(14-16)30-19-13-15(5-7-17(19)22-18)23(2)11-9-21(25)26;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H-,25,26,27,28,29);/q;+1/p-1

IUPAC

sodium 3-((7-(ethyl(3-sulfonatopropyl)amino)phenoxazin-5-ium-3-yl)(methyl)amino)propanoate

Alternate CAS Number

343257-52-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat