Chemical identity

ethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate

CAS 7029-96-1 · C11H14N4O4

01Identity

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

Lazychem IDLC-13495
PubChem CID676986
Nameethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
CAS RN7029-96-1
Molecular formulaC11H14N4O4
Molecular weight266.26 g/mol
IUPAC nameethyl 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
InChIKeyJFECZQLAMOOGJL-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 676986
2D structure: ethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, CAS 7029-96-1
Structure of ethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate (CAS 7029-96-1). LazyChem record. Source identity: PubChem CID 676986. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC11H14N4O4
InChIKeyJFECZQLAMOOGJL-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESCCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChIInChI=1S/C11H14N4O4/c1-4-19-7(16)5-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3

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 7029-96-1 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 7029-96-1 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 10
  • ethyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
  • Ethyl 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
  • ethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
  • Ethyl 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
  • Oprea1_223904
  • Oprea1_591469

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