Chemical identity

Mizolastine Impurity 9

CAS 935860-13-2 · C49H50F2N12O2

01Identity

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

Lazychem IDLC-20487
PubChem CID175674931
NameMizolastine Impurity 9
CAS RN935860-13-2
Molecular formulaC49H50F2N12O2
Molecular weight877.02 g/mol
IUPAC name5,5'-methylenebis(2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl)(methyl)amino)pyrimidin-4(3H)-one)
InChIKeyBPLFKBDBSQCORI-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 175674931
Two-dimensional chemical structure of Mizolastine Impurity 9, CAS 935860-13-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 10 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 count10
Secondary amines0
Tertiary amines4
N-methyl amine sites2
SMILESCN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=C(C(=O)N5)CC6=CN=C(NC6=O)N(C)C7CCN(CC7)C8=NC9=CC=CC=C9N8CC1=CC=C(C=C1)F
InChINot listed
Formula from structureC49H50F2N12O2
Molecular weight from structure877.02 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 Mizolastine Impurity 9 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 Mizolastine Impurity 9, 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
C48H47F2N13O3
Candidate SMILES
CN(c1ncc(Cc2cnc(N(N=O)C3CCN(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)[nH]c2=O)c(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)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 935860-13-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 935860-13-2 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

Mizolastine

View API and impurity family

Other names

  • Mizolastine Impurity 1
  • 935860-13-2
  • Mizolastine Impurity2
  • 5,5'-methylenebis(2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl)(methyl)amino)pyrimidin-4(3H)-one)

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