Doxofylline Impurity 11

CAT: 1596-AR-D07693-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-D07693-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

109403-76-1

Synonyms

7,7'-methylenebis (1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

Molecular Formula

C15H16N8O4

Molecular Weight

372.35

API Name

Doxofylline

Chemical Information

Doxofylline Impurity 19

CAS Number	109403-76-1
PubChem CID	132071189
IUPAC Name	7-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione
Molecular Formula	C15H16N8O4
Molecular Weight	372.34
XLogP	-1
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	658

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C15H16N8O4/c1-18-10-8(12(24)20(3)14(18)26)22(5-16-10)7-23-6-17-11-9(23)13(25)21(4)15(27)19(11)2/h5-6H,7H2,1-4H3

InChIKey

CAXWOQDAIYQFFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109403-76-1

CID: 132071189

Formula: C15H16N8O4

MW: 372.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.34
XLogP3	-1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	372.12945102
Monoisotopic Mass	372.12945102
Topological Polar Surface Area	117 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes