Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (1:1)

CAS Registry Number®

62669-77-6

CAS Name

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (1:1)

Molecular Formula

C22H19N2O3.ClO4

Cite this Page

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62669-77-6 (retrieved 2024-11-21) (CAS RN: 62669-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H18N2O3.ClHO4/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;2-1(3,4)5/h3-12,23-24H,1-2H3;(H,2,3,4,5)

InChIKey

InChIKey=NDZSJVYEQJETNT-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C3=C([O+]=C4C2C=CC(NC)=C4)C=C(NC)C=C3)C=CC=C1.Cl(=O)(=O)(=O)[O-]

Canonical SMILES

O=C(O)C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)NC)NC.O=Cl(=O)(=O)[O-]

Other Names for this Substance

  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (1:1)
  • Benzoic acid, 2-[6-(methylamino)-3-(methylimino)-3H-xanthen-9-yl]-, monoperchlorate
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
  • Rhodamine 116 perchlorate
  • Rhodamine 116

Deleted or Replaced CAS Registry Numbers

1202866-94-1, 1190052-46-0, 1185236-55-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration