Compound Summary
Compound Information
xanthine
Compound Name: | xanthine |
Compound CID: | 1188 |
Synonyms: | xanthine 69-89-6 2,6-Dihydroxypurine Isoxanthine Xanthin More... |
Iupac Name: | 3,7-dihydropurine-2,6-dione |
InChI: | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
InChIKey: | LRFVTYWOQMYALW-UHFFFAOYSA-N |
Canonical Smiles: | C1=NC2=C(N1)C(=O)NC(=O)N2 |
Isomeric Smiles: | C1=NC2=C(N1)C(=O)NC(=O)N2 |
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
xanthine
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 11 |
Complexity: | 217 |
Synonyms
xanthine
| xanthine | xanthine |
|---|---|
xanthine |
69-89-6 |
2,6-Dihydroxypurine |
Isoxanthine |
Xanthin |
2,6-dioxopurine |
Pseudoxanthine |
1H-Purine-2,6(3H,7H)-dione |
Xanthic oxide |
1H-Purine-2,6-diol |
9H-Purine-2,6-diol |
Purine-2,6-diol |
3,7-Dihydro-1H-purine-2,6-dione |
1H-Purine-2,6-dione, 3,7-dihydro- |
2,6(1,3)-Purinedion |
3,7-dihydropurine-2,6-dione |
Purine-2(3H),6(1H)-dione |
USAF CB-17 |
XAN |
2,6-Dioxo-1,2,3,6-tetrahydropurine |
3,9-dihydro-1H-purine-2,6-dione |
9H-Purine-2,6-(1H,3H)-dione |
7H-purine-2,6-diol |
1H-Purine-2,6-dione, 3,9-dihydro- |
Purine-2,6-(1H,3H)-dione |
9H-xanthine |
UNII-1AVZ07U9S7 |
NSC 14664 |
EPA Pesticide Chemical Code 116900 |
CHEBI:17712 |
AI3-52268 |
MFCD00078453 |
Xanthine (VAN) (8CI) |
CID 5280342 |
CHEMBL1424 |
1AVZ07U9S7 |
Purine-2,6(1H,3H)-dione |
xanthine (2,6-dihydroxypurine) |
9H-Purine-2,6(1H,3H)-dione |
1,3-dihydropurine-2,6-dione |
1H-purine-2,6(3H,9H)-dione |
CCRIS 994 |
EINECS 200-718-6 |
Dioxopurine |
Dioxypurin |
7H-xanthine |
3H-Purine-2,6-diol (9CI) |
7H-Purine-2,6-diol (9CI) |
2-Oxohypoxanthine |
2,6-dioxypurine |
Xanthine,(S) |
2,6-Dihydroxypurin |
Xanthine, 98% |
Purine-2,3H)-dione |
Xanthine, >=99% |
2uz9 |
Xanthine-13C-15N2 |
2H-Purin-2-one, 1,3-dihydro-6-hydroxy- |
2H-Purin-2-one, 3,9-dihydro-6-hydroxy- |
6H-Purin-6-one, 1,9-dihydro-2-hydroxy- |
ACMC-209vj5 |
bmse000127 |
MolMap_000070 |
Xanthine, p.a., 99% |
9H-Purine-2,3H)-dione |
Cambridge id 5126190 |
SCHEMBL4965 |
2,2,3,6-tetrahydropurine |
Oprea1_474175 |
2H-Purin-2-one, 3,7-dihydro-6-hydroxy- (9CI) |
Xanthine, BioUltra, >=99% |
3,9-dihydropurine-2,6-dione |
AMY239 |
ARONIS008606 |
GTPL4557 |
DTXSID4035120 |
3,7-dihydro-purine-2,6-dione |
3,9-Dihydro-purine-2,6-dione |
BDBM82009 |
CHEBI:48517 |
LRFVTYWOQMYALW-UHFFFAOYSA- |
HMS1659G11 |
HMS3604G12 |
BCP15189 |
CAS_1188 |
NSC_1188 |
NSC14664 |
1H-purine-2,6(3H, 7H)-dione |
BBL028159 |
BDBM50227193 |
NSC-14664 |
SBB004054 |
STL064827 |
STL453051 |
ZINC13517187 |
AKOS000498219 |
AKOS005208756 |
AKOS015896921 |
AC-8422 |
AM83905 |
CCG-266216 |
CS-W018105 |
DB02134 |
FS-3231 |
HY-W017389 |
MCULE-6687728468 |
SDCCGMLS-0065805.P001 |
2,6-Dioxo-1,2,3, 6-tetrahydropurine |
NCGC00164338-01 |
173793-02-7 |
173793-03-8 |
173793-05-0 |
173793-06-1 |
173793-08-3 |
51953-16-3 |
51953-25-4 |
51953-27-6 |
K177 |
SY030113 |
AB0014073 |
DB-015929 |
2,3,6,7-tetrahydro-1H-purine-2,6-dione |
FT-0631300 |
S3693 |
ST45045352 |
7117-EP2269989A1 |
7117-EP2272832A1 |
7117-EP2272835A1 |
7117-EP2272844A1 |
7117-EP2272848A1 |
7117-EP2292227A2 |
7117-EP2295406A1 |
7117-EP2295434A2 |
7117-EP2295435A1 |
7117-EP2298312A1 |
7117-EP2298769A1 |
7117-EP2298772A1 |
7117-EP2301937A1 |
7117-EP2305684A1 |
7117-EP2308562A2 |
7117-EP2308839A1 |
7117-EP2308878A2 |
7117-EP2311806A2 |
7117-EP2311832A1 |
7117-EP2311833A1 |
7117-EP2316974A1 |
C00385 |
D71218 |
Q50980 |
X-0950 |
AB00171825-02 |
108079-EP2287164A1 |
108079-EP2298769A1 |
A836687 |
6H-Purin-6-one, 1,7-dihydro-2-hydroxy- (9CI) |
Z57825360 |
92AB342E-6550-4B2B-AD76-E75AC1C2EB45 |
Xanthine, >=99.5% (HPLC), purified by recrystallization |
1262670-81-4 |
Experimental Data
xanthine
| 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 | 16.97 | 17.11 | 0.01 | NS | N2 | 30061824 | Inactive |
Experimental Data Visualization
xanthine
Statistics Data
xanthine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.01 | 1 | 1 |
Statistics Data Visualization
xanthine
