1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt

CAS Registry Number®

199745-67-0
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CAS Name

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt

Molecular Formula

C37H41N3O8S2

Cite this Page

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=199745-67-0 (retrieved 2024-09-07) (CAS RN: 199745-67-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H41N3O8S2/c41-32(42)12-2-1-3-15-38-49(43,44)25-13-14-26(31(22-25)50(45,46)47)33-29-20-23-8-4-16-39-18-6-10-27(34(23)39)36(29)48-37-28-11-7-19-40-17-5-9-24(35(28)40)21-30(33)37/h13-14,20-22,38H,1-12,15-19H2,(H-,41,42,45,46,47)

InChIKey

InChIKey=QOFZZTBWWJNFCA-UHFFFAOYSA-N

SMILES

S(=O)(=O)([O-])C1=C(C=2C=3C(=C4C5=C(C3)CCCN5CCC4)[O+]=C6C2C=C7C8=C6CCCN8CCC7)C=CC(S(NCCCCCC(O)=O)(=O)=O)=C1

Canonical SMILES

O=C(O)CCCCCNS(=O)(=O)C=1C=CC(C=2C=3C=C4C5=C(C3[O+]=C6C2C=C7C8=C6CCCN8CCC7)CCCN5CCC4)=C(C1)S(=O)(=O)[O-]

Other Names for this Substance

  • 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt
  • Texas Red X
  • PromoFluor 590 carboxylic acid
  • Texas Red X Conjugate
  • DY 590 Carboxylic Acid

View All

Deleted or Replaced CAS Registry Numbers

160041-07-6, 178623-10-4, 1304642-81-6