Chemical identity

(E)-3-(2-amino-4-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)phenyl)acrylic acid

CAS not listed · C25H29N3O3S

01Identity

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

Lazychem IDLC-08650
PubChem CID175673580
Name(E)-3-(2-amino-4-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)phenyl)acrylic acid
CAS RNNot listed
Molecular formulaC25H29N3O3S
Molecular weight451.58 g/mol
IUPAC name(E)-3-(2-amino-4-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)phenyl)acrylic acid
InChIKeyXMTFTZIXMAWLSR-VQHVLOKHSA-N

02Structure identifiers

2D structurePubChem CID 175673580
Two-dimensional chemical structure of (E)-3-(2-amino-4-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)phenyl)acrylic acid
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESNC1=CC(OCCCCN2CCN(C3=CC=CC4=C3C=CS4)CC2)=CC=C1/C=C/C(O)=O
InChINot listed
Formula from structureC25H29N3O3S
Molecular weight from structure451.58 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

  • Brexpiprazole Impurity 125

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