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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O4
Molecular Weight 280.2798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIMETHYL-1-(4-CARBOXYBUTYL)XANTHINE

SMILES

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

InChI

InChIKey=JDMFPLGXRUJOTC-UHFFFAOYSA-N
InChI=1S/C12H16N4O4/c1-14-7-13-10-9(14)11(19)16(12(20)15(10)2)6-4-3-5-8(17)18/h7H,3-6H2,1-2H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C12H16N4O4
Molecular Weight 280.2798
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 07:39:08 UTC 2023
Edited
by admin
on Sat Dec 16 07:39:08 UTC 2023
Record UNII
O96A21QV23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIMETHYL-1-(4-CARBOXYBUTYL)XANTHINE
Systematic Name English
1H-PURINE-1-PENTANOIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-
Common Name English
1-(4'-CARBOXYBUTYL)-3,7-DIMETHYLXANTHINE
Common Name English
PENTOXIFYLLINE METABOLITE M-4
Common Name English
1-(4-CARBOXYBUTYL)-3,7-DIMETHYLXANTHINE
Systematic Name English
Code System Code Type Description
PUBCHEM
3082496
Created by admin on Sat Dec 16 07:39:08 UTC 2023 , Edited by admin on Sat Dec 16 07:39:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID50192262
Created by admin on Sat Dec 16 07:39:08 UTC 2023 , Edited by admin on Sat Dec 16 07:39:08 UTC 2023
PRIMARY
CAS
38975-44-9
Created by admin on Sat Dec 16 07:39:08 UTC 2023 , Edited by admin on Sat Dec 16 07:39:08 UTC 2023
PRIMARY
FDA UNII
O96A21QV23
Created by admin on Sat Dec 16 07:39:08 UTC 2023 , Edited by admin on Sat Dec 16 07:39:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE