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Details

Stereochemistry RACEMIC
Molecular Formula C12H18N4O3
Molecular Weight 266.2963
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(O)CCCCN1C(=O)N(C)C2=C(NC=N2)C1=O

InChI

InChIKey=BMMSHXKNEHRMPT-UHFFFAOYSA-N
InChI=1S/C12H18N4O3/c1-8(17)5-3-4-6-16-11(18)9-10(14-7-13-9)15(2)12(16)19/h7-8,17H,3-6H2,1-2H3,(H,13,14)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(5-HYDROXYHEXYL)-3-METHYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1-(5-HYDROXYHEXYL)-3-METHYL-
Systematic Name English
PENTOXIFYLLINE METABOLITE M-7
Common Name English
3,9-DIHYDRO-1-(5-HYDROXYHEXYL)-3-METHYL-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
15023893
Created by admin on Sat Dec 16 16:33:31 GMT 2023 , Edited by admin on Sat Dec 16 16:33:31 GMT 2023
PRIMARY
FDA UNII
IA3O4UE9CG
Created by admin on Sat Dec 16 16:33:31 GMT 2023 , Edited by admin on Sat Dec 16 16:33:31 GMT 2023
PRIMARY
CAS
38975-29-0
Created by admin on Sat Dec 16 16:33:31 GMT 2023 , Edited by admin on Sat Dec 16 16:33:31 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PENTOXIFYLLINE
NIH
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