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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O3
Molecular Weight 182.1368
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-1-METHYLXANTHINE

SMILES

CN1C(=O)N(O)C2=C(NC=N2)C1=O

InChI

InChIKey=GCEOAXRRWCDSIV-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-9-5(11)3-4(8-2-7-3)10(13)6(9)12/h2,13H,1H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C6H6N4O3
Molecular Weight 182.1368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Conversion of the oncogenic 1-methylguanine 3-oxide to 3-hydroxy-1-methylxanthine.
1976 Oct
Carcinogenic purine N-oxide ester modifies covalently all common bases in polynucleotides.
1980 Jan
A uridine adduct with an ester of the carcinogen 3-hydroxy-1-methylxanthine.
1982 Jul 15
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:53:57 GMT 2023
Edited
by admin
on Fri Dec 15 18:53:57 GMT 2023
Record UNII
9323NN36VV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-1-METHYLXANTHINE
Systematic Name English
XANTHINE, 3-HYDROXY-1-METHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3-HYDROXY-1-METHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-3-HYDROXY-1-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70161213
Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023
PRIMARY
MESH
C013046
Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023
PRIMARY
PUBCHEM
84149
Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023
PRIMARY
FDA UNII
9323NN36VV
Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023
PRIMARY
CAS
14002-16-5
Created by admin on Fri Dec 15 18:53:57 GMT 2023 , Edited by admin on Fri Dec 15 18:53:57 GMT 2023
PRIMARY