Calcein

CAS Registry Number®

1461-15-0

CAS Name

Calcein

Molecular Formula

C30H26N2O13

Molecular Mass

622.53

Cite this Page

Calcein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1461-15-0 (retrieved 2024-11-21) (CAS RN: 1461-15-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

InChIKey=DEGAKNSWVGKMLS-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C(OC=4C2=CC(CN(CC(O)=O)CC(O)=O)=C(O)C4)=CC(O)=C(CN(CC(O)=O)CC(O)=O)C3)C=5C1=CC=CC5

Canonical SMILES

O=C(O)CN(CC(=O)O)CC=1C=C2C(OC3=CC(O)=C(C=C3C42OC(=O)C=5C=CC=CC54)CN(CC(=O)O)CC(=O)O)=CC1O

Other Names for this Substance

  • Glycine, N,N′-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-2′,7′-diyl)bis(methylene)]bis[N-(carboxymethyl)-
  • Fluorescein, 2′,7′-bis[[bis(carboxymethyl)amino]methyl]-
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthene], glycine deriv.
  • N,N′-[(3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-2′,7′-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]
  • 2,7-Bis[N,N-bis(carboxymethyl)aminomethylene]fluorescein

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Deleted or Replaced CAS Registry Numbers

4370-08-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration