Chemical identity

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

CAS 109403-76-1 · C15H16N8O4

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13496
PubChem CID132071189
Name7,7'-methylenebis(1,3-dimethyl-1H-purine-2,6(3H,7H)-dione)
CAS RN109403-76-1
Molecular formulaC15H16N8O4
Molecular weight372.35 g/mol
IUPAC name7,7'-methylenebis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
InChIKeyCAXWOQDAIYQFFX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 132071189
2D structure: 7,7'-methylenebis(1,3-dimethyl-1H-purine-2,6(3H,7H)-dione), CAS 109403-76-1
Structure of 7,7'-methylenebis(1,3-dimethyl-1H-purine-2,6(3H,7H)-dione) (CAS 109403-76-1). LazyChem record. Source identity: PubChem CID 132071189. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H16N8O4
InChIKeyCAXWOQDAIYQFFX-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres0
SMILESCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C
InChIInChI=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

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 109403-76-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 109403-76-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Doxofylline

View API and impurity family

Other names

  • Doxofylline Impurity 11
  • Theophylline impurities818
  • Theophylline impurities819
  • 7-[(1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione
  • 7,7'-Methylenebis[3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione]
  • H53347

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources