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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O3
Molecular Weight 238.2432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-HYDROXYPROPYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

SMILES

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

InChI

InChIKey=GHGVDQNEKGZLPE-UHFFFAOYSA-N
InChI=1S/C10H14N4O3/c1-12-6-11-8-7(12)9(16)14(4-3-5-15)10(17)13(8)2/h6,15H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H14N4O3
Molecular Weight 238.2432
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 15:38:29 UTC 2023
Edited
by admin
on Sat Dec 16 15:38:29 UTC 2023
Record UNII
KMM2BK7040
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-HYDROXYPROPYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Systematic Name English
PENTOXIFYLLINE IMPURITY D [EP IMPURITY]
Common Name English
1-(3-HYDROXYPROPYL)THEOBROMINE
Common Name English
3,7-DIHYDRO-1-(3-HYDROXYPROPYL)-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-(3-HYDROXYPROPYL)-3,7-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
KMM2BK7040
Created by admin on Sat Dec 16 15:38:30 UTC 2023 , Edited by admin on Sat Dec 16 15:38:30 UTC 2023
PRIMARY
CAS
59413-14-8
Created by admin on Sat Dec 16 15:38:30 UTC 2023 , Edited by admin on Sat Dec 16 15:38:30 UTC 2023
PRIMARY
PUBCHEM
3042298
Created by admin on Sat Dec 16 15:38:30 UTC 2023 , Edited by admin on Sat Dec 16 15:38:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID60208141
Created by admin on Sat Dec 16 15:38:30 UTC 2023 , Edited by admin on Sat Dec 16 15:38:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP