Dopaxanthin

CAS Registry Number®

71199-31-0
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CAS Name

Dopaxanthin

Molecular Formula

C18H18N2O8

Molecular Mass

390.34

Cite this Page

Dopaxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71199-31-0 (retrieved 2024-09-19) (CAS RN: 71199-31-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4+/t11-,13-/m0/s1

InChIKey

InChIKey=YSNPSKZBOQYUHH-ZJQVBNTPSA-N

SMILES

C(\C=N\[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O)=C/2\C[C@@H](C(O)=O)NC(C(O)=O)=C2

Canonical SMILES

O=C(O)C1=CC(=CC=NC(C(=O)O)CC2=CC=C(O)C(O)=C2)CC(N1)C(=O)O

Other Names for this Substance

  • 2,6-Pyridinedicarboxylic acid, 4-[(2E)-[[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-, (2S,4E)-
  • 2,6-Pyridinedicarboxylic acid, 4-[[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-, [S-[R*,R*-(E,E)]]-
  • (2S,4E)-4-[(2E)-[[(1S)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
  • Dopaxanthin