Chemical identity

Apixaban Open Ring Methyl Ester

CAS 2203740-09-2 · C26H29N5O5

01Identity

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

Lazychem IDLC-06508
PubChem CID153532468
NameApixaban Open Ring Methyl Ester
CAS RN2203740-09-2
Molecular formulaC26H29N5O5
Molecular weight491.55 g/ mol
IUPAC nameMethyl 5-((4-(3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)phenyl)amino)pentanoate
InChIKeyNYKOPPHOFJMIQZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 153532468
Two-dimensional chemical structure of Apixaban Open Ring Methyl Ester, CAS 2203740-09-2
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 amines1
Tertiary amines0
N-methyl amine sites0
SMILESO=C(OC)CCCCNC1=CC=C(N2CCC3=C(N(C4=CC=C(OC)C=C4)N=C3C(N)=O)C2=O)C=C1
InChINot listed
Formula from structureC26H29N5O5
Molecular weight from structure491.55 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 Apixaban Open Ring Methyl Ester 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 Apixaban Open Ring Methyl Ester, 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
C26H28N6O6
Candidate SMILES
COC(=O)CCCCN(N=O)c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1

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 2203740-09-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2203740-09-2 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

Apixaban

View API and impurity family

Other names

  • Apixaban Impurity 16 / Apixaban Open Ring Methyl Ester
  • Apixaban Impurity 16

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