Chemical identity

Bosutinib Impurity 38

CAS 2095306-26-4 · C46H44Cl4N8O6

01Identity

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

Lazychem IDLC-08553
PubChem CID177837185
NameBosutinib Impurity 38
CAS RN2095306-26-4
Molecular formulaC46H44Cl4N8O6
Molecular weight946.7 g/mol
IUPAC name7,7'-((piperazine-1,4-diylbis(propane-3,1-diyl))bis(oxy))bis(4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile)
InChIKeyQHSOUECDRUMOIB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 177837185
Two-dimensional chemical structure of Bosutinib Impurity 38, CAS 2095306-26-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count7
Secondary amines2
Tertiary amines2
N-methyl amine sites0
SMILESClC1=CC(Cl)=C(NC2=C(C#N)C=NC3=CC(OCCCN4CCN(CCCOC5=C(OC)C=C6C(N=CC(C#N)=C6NC7=C(Cl)C=C(Cl)C(OC)=C7)=C5)CC4)=C(OC)C=C23)C=C1OC
InChINot listed
Formula from structureC46H44Cl4N8O6
Molecular weight from structure946.7 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 Bosutinib Impurity 38 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 Bosutinib Impurity 38, 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
C46H43Cl4N9O7
Candidate SMILES
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCOc5cc6ncc(C#N)c(N(N=O)c7cc(OC)c(Cl)cc7Cl)c6cc5OC)CC4)c(OC)cc23)c(Cl)cc1Cl

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 2095306-26-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2095306-26-4 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.

05Names and relationships

Associated parent compound

Bosutinib

View API and impurity family

Other names

No synonyms are listed.

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