Chemical identity

N-Despropyl-N-ethyl Macitentan

CAS 441796-13-0 · C18H18Br2N6O4S

01Identity

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

Lazychem IDLC-21252
PubChem CID71462322
NameN-Despropyl-N-ethyl Macitentan
CAS RN441796-13-0
Molecular formulaC18H18Br2N6O4S
Molecular weight574.25 g/mol
IUPAC nameN-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-ethylsulfamide
InChIKeyPIJUSICWAKBTEZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71462322
Two-dimensional chemical structure of N-Despropyl-N-ethyl Macitentan, CAS 441796-13-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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 count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
InChINot listed
Formula from structureC18H18Br2N6O4S
Molecular weight from structure574.25 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 441796-13-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 441796-13-0 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

Macitentan

View API and impurity family

Other names

  • N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-ethylsulfamide
  • Macitentan N-Ethyl Analog
  • Macitentan N-Despropyl-N-Ethyl
  • 441796-13-0
  • Macitentan impurity B
  • N-Despropyl-N-ethyl Macitentan
  • CHEMBL2165338
  • Macitentan impurity D
  • C18H18Br2N6O4S
  • SCHEMBL17582648
  • BDBM50395627
  • G79571

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