Name: Name:7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione
Brand: Angene
SKU: AG0034EH
Rating: 90 (10 reviews)

7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione

CAS No.:

612-37-3

Catalog Number:

AG0034EH

Molecular Formula:

C6H6N4O3

Molecular Weight:

182.1368

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$119

- +

5mg

≥98%

1 week

United States

$283

- +

Product Description

Catalog Number:

AG0034EH

Chemical Name:

7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione

CAS Number:

612-37-3

Molecular Formula:

C6H6N4O3

Molecular Weight:

182.1368

MDL Number:

MFCD00042772

IUPAC Name:

7-methyl-3,9-dihydropurine-2,6,8-trione

InChI:

InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)

InChI Key:

YHNNPKUFPWLTOP-UHFFFAOYSA-N

SMILES:

O=c1[nH]c2[nH]c(=O)n(c2c(=O)[nH]1)C

EC Number:

210-307-3

UNII:

0040741VCN

Properties

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.139g/mol

Monoisotopic Mass:

182.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title	Journal
Methylated purines in urinary stones.	Clinical chemistry 20050801
Uric acid may inhibit glucose-induced insulin secretion via binding to an essential arginine residue in rat pancreatic beta-cells.	Bioorganic & medicinal chemistry letters 20050215
Catabolism of caffeine in plants and microorganisms.	Frontiers in bioscience : a journal and virtual library 20040501
Structural basis for the binding affinity of xanthines with the DNA intercalator acridine orange.	Journal of medicinal chemistry 20011220
Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin.	Journal of chromatography. B, Biomedical sciences and applications 20010815

Properties