Chemical identity

1-Methyl Xanthine

CAS 6136-37-4 · C6H6N4O2

01Identity

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

Lazychem IDLC-01268
PubChem CID80220
Name1-Methyl Xanthine
CAS RN6136-37-4
Molecular formulaC6H6N4O2
Molecular weight166.14 g/mol
IUPAC name3,9-Dihydro-1-methyl-1H-purine-2,6-dione
InChIKeyMVOYJPOZRLFTCP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 80220
Two-dimensional chemical structure of 1-Methyl Xanthine, CAS 6136-37-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C(N1C)NC2=C(NC=N2)C1=O
InChINot listed
Formula from structureC6H6N4O2
Molecular weight from structure166.14 g/mol

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 / RCSNO EXACT MATCH FOUNDCAS 6136-37-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 6136-37-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

theophylline

View API and impurity family

Other names

  • 1-Methyl-3, 7-dihydro-purine-2, 6-dione
  • 1-Methyl-1H-purine-2, 6(3H, 7H)-dione
  • 1-methyl-7H-xanthine
  • 2, 6-Dihydroxy-1-methylpurine
  • 1-methyl-2, 3, 6, 7-tetrahydro-1H-purine-2, 6-dione
  • 1-methyl-3, 9-dihydropurine-2, 6-dione
  • 1-methylpurine-2, 6-diol

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