Chemical identity

N-Desdimethylaminoethyl-N-methyl Nitro-N'-desacryloyl Osimertinib

CAS not listed · C22H22N6O3

01Identity

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

Lazychem IDLC-35154
PubChem CID131875240
NameN-Desdimethylaminoethyl-N-methyl Nitro-N'-desacryloyl Osimertinib
CAS RNNot listed
Molecular formulaC22H22N6O3
Molecular weight418.4 g/mol
IUPAC name2-methoxy-4-N,4-N-dimethyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
InChIKeyATPTZNLODHWRSW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 131875240
Two-dimensional chemical structure of N-Desdimethylaminoethyl-N-methyl Nitro-N'-desacryloyl Osimertinib
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, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines1
Tertiary amines1
N-methyl amine sites2
SMILESCN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)C)[N+](=O)[O-]
InChINot listed
Formula from structureC22H22N6O3
Molecular weight from structure418.4 g/mol

03Possible N-nitroso structures

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

Matched amine site3 candidates
Chemical structure of N-Desdimethylaminoethyl-N-methyl Nitro-N'-desacryloyl Osimertinib 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 N-Desdimethylaminoethyl-N-methyl Nitro-N'-desacryloyl Osimertinib, 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
C22H21N7O4
Candidate SMILES
COc1cc(N(C)C)c([N+](=O)[O-])cc1N(N=O)c1nccc(-c2cn(C)c3ccccc23)n1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C21H19N7O4
Candidate SMILES
COc1cc(N(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(N=O)c3ccccc23)n1
Candidate 3Possible N-nitroso structural candidate
Calculated formula
C21H19N7O4
Candidate SMILES
COc1cc(N(C)N=O)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1

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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

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