200,000+ products from a single source!
sales@angenechem.com
2770-66-3 | 1H-Purine-2,6-dione, 7-(3-chloropropyl)-3,7-dihydro-1,3-dimethyl-
CAS No: 2770-66-3 Catalog No: AG002UIH MDL No:
Product Description
Catalog Number:
AG002UIH
Chemical Name:
1H-Purine-2,6-dione, 7-(3-chloropropyl)-3,7-dihydro-1,3-dimethyl-
CAS Number:
2770-66-3
Molecular Formula:
C10H13ClN4O2
Molecular Weight:
256.6888
IUPAC Name:
7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
InChI Key:
MORVOYPJRATMRS-UHFFFAOYSA-N
SMILES:
ClCCCn1cnc2c1c(=O)n(C)c(=O)n2C
EC Number:
220-462-9
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.69g/mol
Monoisotopic Mass:
256.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. | Journal of medicinal chemistry 20020523 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.