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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N4O4
Molecular Weight 210.1469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETOXYXANTHINE

SMILES

CC(=O)ON1C2=C(NC=N2)C(=O)NC1=O

InChI

InChIKey=JFZOYDLNLQWKIZ-UHFFFAOYSA-N
InChI=1S/C7H6N4O4/c1-3(12)15-11-5-4(8-2-9-5)6(13)10-7(11)14/h2H,1H3,(H,8,9)(H,10,13,14)

HIDE SMILES / InChI

Molecular Formula C7H6N4O4
Molecular Weight 210.1469
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A chemical adduct of tryptophan and the oncogen 3-acetoxyxanthine.
1973 Dec 4
Oxidizing action of purine N-oxide esters.
1975 Jan
Adduct of tyrosine and the oncogen 3-acetoxyxanthine.
1976 Jun 29
Determinants of nucleic acid adduct formation.
1981 Dec
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:14 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:14 GMT 2023
Record UNII
76B8S4B069
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETOXYXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3-(ACETYLOXY)-3,7-DIHYDRO-
Systematic Name English
XANTHINE, 3-ACETOXY-
Systematic Name English
ACETIC ACID, 1,2,6,9-TETRAHYDRO-2,6-DIOXO-3H-PURIN-3-YL ESTER
Common Name English
Code System Code Type Description
FDA UNII
76B8S4B069
Created by admin on Fri Dec 15 18:32:14 GMT 2023 , Edited by admin on Fri Dec 15 18:32:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID80176530
Created by admin on Fri Dec 15 18:32:14 GMT 2023 , Edited by admin on Fri Dec 15 18:32:14 GMT 2023
PRIMARY
MESH
C033992
Created by admin on Fri Dec 15 18:32:14 GMT 2023 , Edited by admin on Fri Dec 15 18:32:14 GMT 2023
PRIMARY
PUBCHEM
89582
Created by admin on Fri Dec 15 18:32:14 GMT 2023 , Edited by admin on Fri Dec 15 18:32:14 GMT 2023
PRIMARY
CAS
22052-01-3
Created by admin on Fri Dec 15 18:32:14 GMT 2023 , Edited by admin on Fri Dec 15 18:32:14 GMT 2023
PRIMARY