Compound Summary
Compound Information
paraxanthine
Compound Name: | paraxanthine |
Compound CID: | 4687 |
Synonyms: | paraxanthine 1,7-Dimethylxanthine 611-59-6 p-Xanthine 1,7-dimethyl-3H-purine-2,6-dione More... |
Iupac Name: | 1,7-dimethyl-3H-purine-2,6-dione |
InChI: | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) |
InChIKey: | QUNWUDVFRNGTCO-UHFFFAOYSA-N |
Canonical Smiles: | CN1C=NC2=C1C(=O)N(C(=O)N2)C |
Isomeric Smiles: | CN1C=NC2=C1C(=O)N(C(=O)N2)C |
Molecular Weight: | 180.16 |
Molecular Formula: | C7H8N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
paraxanthine
Molecular Weight: | 180.16 |
Molecular Formula: | C7H8N4O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 13 |
Complexity: | 267 |
Synonyms
paraxanthine
| paraxanthine | paraxanthine |
|---|---|
paraxanthine |
1,7-Dimethylxanthine |
611-59-6 |
p-Xanthine |
1,7-dimethyl-3H-purine-2,6-dione |
3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione |
Xanthine, 1,7-dimethyl- |
1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- |
Caffeine Impurity F |
UNII-Q3565Y41V7 |
1,7-dimethyl-Xanthine |
1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione |
CHEMBL1158 |
CHEBI:25858 |
MFCD00005727 |
Q3565Y41V7 |
1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
EINECS 210-271-9 |
NSC 400018 |
BRN 0197907 |
2,6-Dihydroxy-1,7-dimethylpurine |
1,7-Dimethyl-1H-purine-2,6-dione |
Paraxanthine(72%) |
Spectrum2_001733 |
Spectrum3_000774 |
Spectrum4_001207 |
Spectrum5_001506 |
Lopac-D-5385 |
DSSTox_CID_30853 |
DSSTox_GSID_52281 |
Lopac0_000389 |
BSPBio_002448 |
KBioGR_001614 |
5-26-13-00554 (Beilstein Handbook Reference) |
MLS000859929 |
DivK1c_000081 |
SCHEMBL232702 |
SPECTRUM2300170 |
SPBio_001806 |
SCHEMBL4651937 |
DTXSID2052281 |
HMS500E03 |
KBio1_000081 |
KBio3_001668 |
NINDS_000081 |
HMS2231K19 |
HMS3261M19 |
HMS3370A12 |
ZINC120234 |
Tox21_303803 |
Tox21_500389 |
BDBM50042210 |
CCG-39489 |
NSC400018 |
1,7-Dimethylxanthine, ~98%, solid |
AKOS015913484 |
ACN-036617 |
CS-W017214 |
HY-W016498 |
LP00389 |
NSC-400018 |
SDCCGSBI-0050376.P003 |
1,7-Dimethylxanthine-13C4,15N3 |
IDI1_000081 |
NCGC00015347-01 |
NCGC00015347-02 |
NCGC00015347-03 |
NCGC00015347-04 |
NCGC00015347-05 |
NCGC00015347-06 |
NCGC00015347-07 |
NCGC00015347-09 |
NCGC00093817-01 |
NCGC00093817-02 |
NCGC00093817-03 |
NCGC00093817-04 |
NCGC00261074-01 |
NCGC00357087-01 |
AS-64037 |
CAS-611-59-6 |
SMR000326790 |
DB-005072 |
Eur J Pharmacol 179: 295 (1990) |
1H-Purine-2, 3,7-dihydro-1,7-dimethyl- |
3-(4-METHOXY-1-NAPHTHYL)ACRYLICACID |
EU-0100389 |
FT-0632550 |
FT-0673516 |
D 5385 |
D94772 |
A853055 |
Q419223 |
SR-01000075184 |
1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione # |
1,7-Dimethylxanthine 100 microg/mL in Acetonitrile |
SR-01000075184-1 |
BRD-K24084088-001-02-2 |
BRD-K24084088-001-06-3 |
1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- (9CI) |
1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione (Paraxanthine; 1,7-Dimethylxanthine) |
Paraxanthine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material |
1,7-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE (Caffeine Impurity F), Pharmaceutical Secondary Standard; Certified Reference Material |
Experimental Data
paraxanthine
| 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 | 16.34 | 18.75 | 0.15 | S | N2 | 30061824 | Active | ||||
| Caenorhabditis elegans | 33 | umol/L | 4 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
paraxanthine
Statistics Data
paraxanthine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4 | 2 | 2 |
Statistics Data Visualization
paraxanthine
