Chemical identity

Brexpiprazole Impurity 111

CAS not listed · C42H48N6O4S

01Identity

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

Lazychem IDLC-08643
PubChem CID176475822
NameBrexpiprazole Impurity 111
CAS RNNot listed
Molecular formulaC42H48N6O4S
Molecular weight732.93 g/mol
IUPAC name7,7'-(((4,4'-(benzo[b]thiophene-4,7-diyl)bis(piperazine-4,1-diyl))bis(butane-4,1-diyl))bis(oxy))bis(quinolin-2(1H)-one)
InChIKeyLNGKDLKYYAVCTE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 176475822
Two-dimensional chemical structure of Brexpiprazole Impurity 111
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count8
Secondary amines0
Tertiary amines4
N-methyl amine sites0
SMILESO=C1C=CC2=CC=C(OCCCCN3CCN(C4=CC=C(N5CCN(CCCCOC6=CC=C7C(NC(C=C7)=O)=C6)CC5)C8=C4SC=C8)CC3)C=C2N1
InChINot listed
Formula from structureC42H48N6O4S
Molecular weight from structure732.93 g/mol

03India 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.

04Names and relationships

Associated parent compound

Brexpiprazole

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

05Documented 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.

06Sources