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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O3
Molecular Weight 264.2804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-KETOHEXYL)-3-METHYLXANTHINE

SMILES

CN1C2=C(NC=N2)C(=O)N(CCCCC(C)=O)C1=O

InChI

InChIKey=PVUYHZOYPIJUBZ-UHFFFAOYSA-N
InChI=1S/C12H16N4O3/c1-8(17)5-3-4-6-16-11(18)9-10(14-7-13-9)15(2)12(16)19/h7H,3-6H2,1-2H3,(H,13,14)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(5-KETOHEXYL)-3-METHYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-3-METHYL-1-(5-OXOHEXYL)-
Systematic Name English
3,9-DIHYDRO-3-METHYL-1-(5-OXOHEXYL)-1H-PURINE-2,6-DIONE
Systematic Name English
PENTOXIFYLLINE METABOLITE M-6
Common Name English
Code System Code Type Description
CAS
38975-46-1
Created by admin on Sat Dec 16 16:16:35 GMT 2023 , Edited by admin on Sat Dec 16 16:16:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID101203357
Created by admin on Sat Dec 16 16:16:35 GMT 2023 , Edited by admin on Sat Dec 16 16:16:35 GMT 2023
PRIMARY
FDA UNII
N8NS1DNH2U
Created by admin on Sat Dec 16 16:16:35 GMT 2023 , Edited by admin on Sat Dec 16 16:16:35 GMT 2023
PRIMARY
PUBCHEM
15023898
Created by admin on Sat Dec 16 16:16:35 GMT 2023 , Edited by admin on Sat Dec 16 16:16:35 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PENTOXIFYLLINE
NIH
NCATS
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