2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

CAS Registry Number®

84100-74-3

CAS Name

2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

Molecular Formula

C26H18ClF2N5O8S2.2Na

Molecular Mass

712.01

Cite this Page

2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84100-74-3 (retrieved 2025-04-23) (CAS RN: 84100-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H18ClF2N5O8S2.2Na/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36;;/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42);;

InChIKey

InChIKey=AYQIGQHUAUTYJK-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(CNC=5C(Cl)=C(F)N=C(F)N5)C=C(C)C=C4S(=O)(=O)O.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C(=CC(=CC4S(=O)(=O)O)C)CNC=5N=C(F)N=C(F)C5Cl)=C13)S(=O)(=O)O

Other Names for this Substance

  • 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt

CAS INSIGHTSTM
Illustration of microRNA (ribonucleic acid) molecules. MicroRNAs