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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4O6
Molecular Weight 328.3211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOXIFYLLINE GEM-DIHYDROPEROXIDE

SMILES

CN1C=NC2=C1C(=O)N(CCCCC(C)(OO)OO)C(=O)N2C

InChI

InChIKey=LUXSBGYLGNHVOT-UHFFFAOYSA-N
InChI=1S/C13H20N4O6/c1-13(22-20,23-21)6-4-5-7-17-11(18)9-10(14-8-15(9)2)16(3)12(17)19/h8,20-21H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H20N4O6
Molecular Weight 328.3211
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 14:17:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:17:52 GMT 2023
Record UNII
YHT75V2NAE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTOXIFYLLINE GEM-DIHYDROPEROXIDE
Common Name English
1-(5,5-DIHYDROPEROXYHEXYL)-3,7-DIMETHYLPURINE-2,6-DIONE
Common Name English
1H-PURINE-2,6-DIONE, 1-(5,5-BIS(HYDROPEROXY)HEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-
Systematic Name English
1-(5,5-BIS(HYDROPEROXY)HEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
YHT75V2NAE
Created by admin on Sat Dec 16 14:17:52 GMT 2023 , Edited by admin on Sat Dec 16 14:17:52 GMT 2023
PRIMARY
CAS
1243654-85-4
Created by admin on Sat Dec 16 14:17:52 GMT 2023 , Edited by admin on Sat Dec 16 14:17:52 GMT 2023
PRIMARY
PUBCHEM
91087462
Created by admin on Sat Dec 16 14:17:52 GMT 2023 , Edited by admin on Sat Dec 16 14:17:52 GMT 2023
PRIMARY
Related Record Type Details
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