1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

CAS Registry Number®

68238-92-6

CAS Name

1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C31H19ClF2N6O14S4.4Na

Cite this Page

1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68238-92-6 (retrieved 2024-11-26) (CAS RN: 68238-92-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H19ClF2N6O14S4.4Na/c32-24-28(33)37-31(34)38-29(24)35-15-4-1-3-13(9-15)30(42)36-20-12-16(55(43,44)45)10-14-11-22(57(49,50)51)25(26(41)23(14)20)40-39-19-8-7-17-18(27(19)58(52,53)54)5-2-6-21(17)56(46,47)48;;;;/h1-12,41H,(H,36,42)(H,35,37,38)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;

InChIKey

InChIKey=GMWDVTWPNCZARE-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC(NC=2C(Cl)=C(F)N=C(F)N2)=CC=C1)C=3C4=C(C=C(S(=O)(=O)O)C(N=NC5=C(S(=O)(=O)O)C6=C(C=C5)C(S(=O)(=O)O)=CC=C6)=C4O)C=C(S(=O)(=O)O)C3.[Na]

Canonical SMILES

[Na].O=C(NC1=CC(=CC=2C=C(C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)O)=C3S(=O)(=O)O)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=C(C5)NC=6N=C(F)N=C(F)C6Cl

Other Names for this Substance

  • 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • 1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt

CAS INSIGHTSTM
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