Chemical identity

3-Methyl-7-propylxanthine

CAS 55242-64-3 · C9H12N4O2

01Identity

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

Lazychem IDLC-02631
PubChem CID3314397
Name3-Methyl-7-propylxanthine
CAS RN55242-64-3
Molecular formulaC9H12N4O2
Molecular weight208.22 g/mol
IUPAC name3,7-Dihydro-3-methyl-7-propyl-1H-purine-2,6-dione; 3-Methyl-7-n-propylxanthine
InChIKeyMHNVSFOURBQRPK-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 3314397
2D structure: 3-Methyl-7-propylxanthine, CAS 55242-64-3
Structure of 3-Methyl-7-propylxanthine (CAS 55242-64-3). LazyChem record. Source identity: PubChem CID 3314397. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC9H12N4O2
InChIKeyMHNVSFOURBQRPK-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=C(N1)N(C)C2=C(N(CCC)C=N2)C1=O
InChIInChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)

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 55242-64-3 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 55242-64-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Xanthine

View API and impurity family

Other names

  • 3-Methyl-7-n-propylxanthine
  • 3-methyl-7-propylpurine-2, 6-dione
  • 3-methyl-7-propyl-2, 3, 6, 7-tetrahydro-1H-purine-2, 6-dione
  • 3-methyl-7-propyl-1H-purine-2, 6-dione
  • 3-methyl-7-propyl-xanthine

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