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
2D structure: N-Despropyl-N-ethyl Macitentan, CAS 441796-13-0
Structure of N-Despropyl-N-ethyl Macitentan (CAS 441796-13-0). LazyChem record. Source identity: PubChem CID 71462322. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H18Br2N6O4S
InChIKeyPIJUSICWAKBTEZ-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres0
SMILESCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
InChIInChI=1S/C18H18Br2N6O4S/c1-2-25-31(27,28)26-16-15(12-3-5-13(19)6-4-12)17(24-11-23-16)29-7-8-30-18-21-9-14(20)10-22-18/h3-6,9-11,25H,2,7-8H2,1H3,(H,23,24,26)

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 441796-13-0 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 441796-13-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Macitentan

View API and impurity family

Other names

  • Macitentan N-Ethyl Analog
  • Macitentan N-Despropyl-N-Ethyl
  • Macitentan impurity B
  • Macitentan impurity D
  • C18H18Br2N6O4S
  • 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