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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N5O2
Molecular Weight 207.1894
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLTOXOFLAVIN

SMILES

CN1N=C(C)N=C2C(=O)N(C)C(=O)N=C12

InChI

InChIKey=CPXHNWKHOFNPDO-UHFFFAOYSA-N
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3

HIDE SMILES / InChI

Molecular Formula C8H9N5O2
Molecular Weight 207.1894
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:20:14 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:14 GMT 2023
Record UNII
KE4E342X6S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLTOXOFLAVIN
Common Name English
PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(1H,6H)-DIONE, 1,3,6-TRIMETHYL-
Systematic Name English
1,3,6-TRIMETHYLPYRIMIDO(5,4-E)(1,2,4)TRIAZINE-5,7-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
KE4E342X6S
Created by admin on Sat Dec 16 15:20:14 GMT 2023 , Edited by admin on Sat Dec 16 15:20:14 GMT 2023
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CAS
32502-62-8
Created by admin on Sat Dec 16 15:20:14 GMT 2023 , Edited by admin on Sat Dec 16 15:20:14 GMT 2023
PRIMARY
PUBCHEM
460747
Created by admin on Sat Dec 16 15:20:14 GMT 2023 , Edited by admin on Sat Dec 16 15:20:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID801332002
Created by admin on Sat Dec 16 15:20:14 GMT 2023 , Edited by admin on Sat Dec 16 15:20:14 GMT 2023
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