Chemical identity

Pentoxifylline EP Impurity K

CAS 74857-22-0 · C17H20N8O4

01Identity

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

Lazychem IDLC-24896
PubChem CID5025063
NamePentoxifylline EP Impurity K
CAS RN74857-22-0
Molecular formulaC17H20N8O4
Molecular weight400.4 g/mol
IUPAC name1,1'-(propane-1,3-diyl)bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
InChIKeyKEPIKAFUZRKZMT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 5025063
Two-dimensional chemical structure of Pentoxifylline EP Impurity K, CAS 74857-22-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C
InChINot listed
Formula from structureC17H20N8O4
Molecular weight from structure400.4 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Pentoxifylline EP Impurity K with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Pentoxifylline EP Impurity K, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C16H17N9O5
Candidate SMILES
Cn1cnc2c1c(=O)n(CCCn1c(=O)c3c(ncn3N=O)n(C)c1=O)c(=O)n2C

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India 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 74857-22-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 74857-22-0 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.

05Names and relationships

Associated parent compound

Pentoxifylline

View API and impurity family

Other names

  • 1,1-(Propane-1,3-diyl)bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
  • Bisdionin C
  • 74857-22-0
  • WT3HN8U2ZZ
  • UNII-WT3HN8U2ZZ
  • Pentoxifylline impurity K [EP]
  • 1H-Purine-2,6-dione, 1,1'-(1,3-propanediyl)bis(3,7-dihydro-3,7-dimethyl-
  • PENTOXIFYLLINE IMPURITY K [EP IMPURITY]
  • Pentoxifylline impurity K
  • RefChem:196650
  • Pentoxifylline EP Impurity K
  • 1,1'-Trimethylenedi-theobromine

Related records from the same parent family

06Documented 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.

07Sources