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Details

Stereochemistry RACEMIC
Molecular Formula C13H20N4O4
Molecular Weight 296.3223
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5,6-DIHYDROXYHEXYL)-3,7-DIMETHYLXANTHINE

SMILES

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

InChI

InChIKey=XMTDKFOBRLKELE-UHFFFAOYSA-N
InChI=1S/C13H20N4O4/c1-15-8-14-11-10(15)12(20)17(13(21)16(11)2)6-4-3-5-9(19)7-18/h8-9,18-19H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H20N4O4
Molecular Weight 296.3223
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:37 UTC 2023
Edited
by admin
on Sat Dec 16 16:09:37 UTC 2023
Record UNII
QKG09E76XN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5,6-DIHYDROXYHEXYL)-3,7-DIMETHYLXANTHINE
Systematic Name English
PENTOXIFYLLINE METABOLITE M2
Common Name English
1H-PURINE-2,6-DIONE, 1-(5,6-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-
Systematic Name English
C 21249
Common Name English
1-(5,6-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
15895955
Created by admin on Sat Dec 16 16:09:37 UTC 2023 , Edited by admin on Sat Dec 16 16:09:37 UTC 2023
PRIMARY
FDA UNII
QKG09E76XN
Created by admin on Sat Dec 16 16:09:37 UTC 2023 , Edited by admin on Sat Dec 16 16:09:37 UTC 2023
PRIMARY
CAS
38975-41-6
Created by admin on Sat Dec 16 16:09:37 UTC 2023 , Edited by admin on Sat Dec 16 16:09:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE