α-Amino-3-carboxy-1-hydroxy-γ,5-dioxo-5H-pyrido[3,2-a]phenoxazine-11-butanoic acid

CAS Registry Number®

521-58-4

CAS Name

α-Amino-3-carboxy-1-hydroxy-γ,5-dioxo-5H-pyrido[3,2-a]phenoxazine-11-butanoic acid

Molecular Formula

C20H13N3O8

Molecular Mass

423.33

Cite this Page

α-Amino-3-carboxy-1-hydroxy-γ,5-dioxo-5H-pyrido[3,2-a]phenoxazine-11-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=521-58-4 (retrieved 2024-10-04) (CAS RN: 521-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)

InChIKey

InChIKey=QLAHWTNCEYYDRR-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(OC=4C(N3)=C(C(CC(C(O)=O)N)=O)C=CC4)=CC(=O)C2=NC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=NC=2C(=O)C=C3OC=4C=CC=C(C(=O)CC(N)C(=O)O)C4N=C3C2C(O)=C1

Other Names for this Substance

  • 5H-Pyrido[3,2-a]phenoxazine-11-butanoic acid, α-amino-3-carboxy-1-hydroxy-γ,5-dioxo-
  • Xanthommatin
  • 5H-Pyrido[3,2-a]phenoxazine-11-butyric acid, α-amino-3-carboxy-1-hydroxy-γ,5-dioxo-
  • α-Amino-3-carboxy-1-hydroxy-γ,5-dioxo-5H-pyrido[3,2-a]phenoxazine-11-butanoic acid
  • NSC 100849

Deleted or Replaced CAS Registry Numbers

25343-02-6

CAS INSIGHTSTM
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