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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18N4O3
Molecular Weight 266.2963
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHOXYMETHYL-3-ISOBUTYL-1-METHYLXANTHINE

SMILES

COCC1=NC2=C(N1)C(=O)N(C)C(=O)N2CC(C)C

InChI

InChIKey=NBLBCGUCPBXKOV-UHFFFAOYSA-N
InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H18N4O3
Molecular Weight 266.2963
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Phosphodiesterase 1 (Mus musculus)
5.2 µM [IC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 12:52:03 GMT 2025
Edited
by admin
on Wed Apr 02 12:52:03 GMT 2025
Record UNII
67FPZ87JKY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MMPX
Preferred Name English
8-METHOXYMETHYL-3-ISOBUTYL-1-METHYLXANTHINE
Systematic Name English
1-METHYL-3-ISOBUTYL-8-METHOXYMETHYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(METHOXYMETHYL)-1-METHYL-3-(2-METHYLPROPYL)-
Systematic Name English
3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione
Systematic Name English
3,9-DIHYDRO-8-(METHOXYMETHYL)-1-METHYL-3-(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
8-Methoxymethyl-3-isobutyl-1-methylxanthine
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
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PUBCHEM
155806
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
CAS
78033-08-6
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID30228679
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
FDA UNII
67FPZ87JKY
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY