Compound Summary
Compound Information
3-Methylxanthine
Compound Name: | 3-Methylxanthine |
Compound CID: | 70639 |
Synonyms: | 3-Methylxanthine 1076-22-8 2,6-Dihydroxy-3-methylpurine 3-Methyl-1H-purine-2,6(3H,7H)-dione 3-methyl-7H-purine-2,6-dione More... |
Iupac Name: | 3-methyl-7H-purine-2,6-dione |
InChI: | InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
InChIKey: | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
Canonical Smiles: | CN1C2=C(C(=O)NC1=O)NC=N2 |
Isomeric Smiles: | CN1C2=C(C(=O)NC1=O)NC=N2 |
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
3-Methylxanthine
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 12 |
Complexity: | 242 |
Synonyms
3-Methylxanthine
| 3-Methylxanthine | 3-Methylxanthine |
|---|---|
3-Methylxanthine |
1076-22-8 |
2,6-Dihydroxy-3-methylpurine |
3-Methyl-1H-purine-2,6(3H,7H)-dione |
3-methyl-7H-purine-2,6-dione |
Xanthine, 3-methyl- |
3 MX |
3-METHYL XANTHINE |
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- |
3,7-Dihydro-3-methyl-1H-purine-2,6-dione |
UNII-WS6X982OEC |
3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
3-methyl-7H-xanthine |
MFCD00005580 |
CHEMBL619 |
WS6X982OEC |
3-methyl-3,7-dihydro-1H-purine-2,6-dione |
CHEBI:62207 |
3-Methyl-3,9-dihydro-purine-2,6-dione |
3-Methyl-3,9-dihydro-1H-purine-2,6-dione |
3-methyl-1,3-dihydropurine-2,6-dione |
CCRIS 5817 |
3-methyl-3,7(9)-dihydro-purine-2,6-dione |
EINECS 214-058-1 |
NSC 515466 |
3-methyl-xanthine |
3-methyl-9H-xanthine |
Spectrum_001898 |
3-methyl-1H-purine-2,6(3H,9H)-dione |
SpecPlus_000737 |
Spectrum2_000502 |
Spectrum3_001652 |
Spectrum4_001571 |
Spectrum5_001544 |
3-Methylxanthine, 98% |
N(1)-demethyltheophylline |
2-oxo-3-methylhypoxanthine |
ACMC-1BT43 |
Oprea1_233226 |
Oprea1_288071 |
BSPBio_003403 |
KBioGR_002122 |
KBioSS_002428 |
BIDD:GT0266 |
DivK1c_006833 |
SCHEMBL237146 |
SPECTRUM1504182 |
SPBio_000423 |
ACMC-2098x5 |
SCHEMBL8663339 |
Theophylline Related Compound B |
3-Methyl-3H-purine-2,6-diol |
3-methyl-9H-purine-2,6-dione |
CHEBI:62208 |
KBio1_001777 |
KBio2_002422 |
KBio2_004990 |
KBio2_007558 |
KBio3_002623 |
DTXSID90148107 |
1-METHYLXANTHINE (1-MX) |
BCP18161 |
ZINC4685854 |
BBL012772 |
BDBM50001515 |
CCG-39565 |
GEO-01981 |
NSC515466 |
s6186 |
SBB002920 |
STK776266 |
WLN: T56 BM DN FNVMVJ F1 |
AKOS002272340 |
AKOS004120009 |
AKOS006221835 |
ZINC100459831 |
CS-W020049 |
DS-1280 |
LS21223 |
MCULE-1015315695 |
NSC-515466 |
3-methyl-3,7-dihydropurine-2,6-dione |
1H-Purine-2, 3,7-dihydro-3-methyl- |
NCGC00095330-01 |
NCGC00095330-02 |
NCGC00178088-01 |
3-Methyl-3,7-dihydro-purine-2,6-dione |
HY-50723 |
SY031706 |
AB0034663 |
DB-040769 |
ST4105010 |
3,9-dihydro-3-methyl-1H-purine-2,6-dione |
AM20080030 |
FT-0616197 |
M2073 |
X8852 |
3-Methyl-3,9-dihydro-1H-purine-2,6-dione # |
3-methyl-3,9-dihydro-2H,6H-purine-2,6-dione |
3-methyl-7H-purine-2,6-dione;3-Methylxanthine |
076M228 |
A801730 |
J-505016 |
W-108741 |
Q27888118 |
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- (9CI) |
Z1741977122 |
3-Methyl-3,9-dihydro-purine-2,6-dione(3-methyl xanthine) |
3-Methyl-3,7-dihydro-1H-purine-2,6-dione (3-Methylxanthine) |
Theophylline Related Compound B, United States Pharmacopeia (USP) Reference Standard |
Experimental Data
3-Methylxanthine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | ug/mL | 18.36 | 18.53 | 0.01 | NS | N2 | 30061824 | Inactive |
Experimental Data Visualization
3-Methylxanthine
Statistics Data
3-Methylxanthine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.01 | 1 | 1 |
Statistics Data Visualization
3-Methylxanthine
