Macitentan

CAS Registry Number®

441798-33-0

CAS Name

Macitentan

Molecular Formula

C19H20Br2N6O4S

Molecular Mass

588.27

Cite this Page

Macitentan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=441798-33-0 (retrieved 2024-11-21) (CAS RN: 441798-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

InChIKey

InChIKey=JGCMEBMXRHSZKX-UHFFFAOYSA-N

SMILES

N(S(NCCC)(=O)=O)C=1C(=C(OCCOC=2N=CC(Br)=CN2)N=CN1)C3=CC=C(Br)C=C3

Canonical SMILES

O=S(=O)(NC1=NC=NC(OCCOC2=NC=C(Br)C=N2)=C1C3=CC=C(Br)C=C3)NCCC

Other Names for this Substance

  • Sulfamide, N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N′-propyl-
  • N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N′-propylsulfamide
  • Macitentan
  • ACT 064992
  • Propylsulfamic acid N-[5-(4-bromophenyl)-6-[2-[(5-bromopyrimidin-2-yl)oxy]ethoxy]pyrimidin-4-yl]amide

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CAS INSIGHTSTM
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