Chemical identity

O-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole (>90%)

CAS 2116542-21-1 · C38H40N4O4S

01Identity

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

Lazychem IDLC-08594
PubChem CID132327608
NameO-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole (>90%)
CAS RN2116542-21-1
Molecular formulaC38H40N4O4S
Molecular weight648.82 g/mol
IUPAC name7-(4-((7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2-yl)oxy)butoxy)quinolin-2(1H)-one
InChIKeyKVKIZAUWWJSARG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 132327608
Two-dimensional chemical structure of O-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole (>90%), CAS 2116542-21-1
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count7
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESC1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=N3)OCCCCOC4=CC5=C(C=C4)C=CC(=O)N5)C6=C7C=CSC7=CC=C6
InChINot listed
Formula from structureC38H40N4O4S
Molecular weight from structure648.82 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 FOUNDCAS 2116542-21-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2116542-21-1 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.

04Names and relationships

Associated parent compound

Brexpiprazole

View API and impurity family

Other names

  • Brexpiprazole Impurity 31
  • 7-{4-[(7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2-yl)oxy]butoxy}-1,2-dihydroquinolin-2-one
  • 2116542-21-1
  • 7-[4-[7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinolin-2-yl]oxybutoxy]-1H-quinolin-2-one
  • O-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole (>90%)
  • 7-(4-((7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2-yl)oxy)butoxy)quinolin-2(1H)-one
  • O-Alkyl Brexpiprazole
  • LV97JC7KCU
  • C38H40N4O4S
  • RJD54221
  • EBC-54050
  • MFCD31421114

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