Chemical identity

Quetiapine Hemifumarate Ester

CAS 2209488-73-1 · C25H27N3O5S

01Identity

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

Lazychem IDLC-26423
PubChem CID91120465
NameQuetiapine Hemifumarate Ester
CAS RN2209488-73-1
Molecular formulaC25H27N3O5S
Molecular weight481.57 g/mol
IUPAC name(E)-4-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)-4-oxobut-2-enoic acid
InChIKeyIJSBIBKELUJDFP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 91120465
Two-dimensional chemical structure of Quetiapine Hemifumarate Ester, CAS 2209488-73-1
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
SMILESC1CN(CCN1CCOCCOC(=O)C=CC(=O)O)C2=NC3=CC=CC=C3SC4=CC=CC=C42
InChINot listed
Formula from structureC25H27N3O5S
Molecular weight from structure481.57 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 2209488-73-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2209488-73-1 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

Quetiapine

View API and impurity family

Other names

  • 2-Butenedioic acid, 1-[2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethyl] Ester
  • Quetiapine Hemifumarate Ester
  • 2209488-73-1

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