Macitentan

C₁₉H₂₀Br₂N₆O₄SCAS 441798-33-0588.28 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₉H₂₀Br₂N₆O₄S
Molar mass: 588.28 g/mol
Exact mass: 585.9633 Da
Melting point: 134–136 °C
logP: 2.99Crippen estimate
Polar surface area: 131.4 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 10

Hazards

Danger

H360 May damage fertility or the unborn child95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

441798-33-0

SMILES

CCCNS(=O)(=O)N=c1nc[nH]c(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1

InChIKey

JGCMEBMXRHSZKX-UHFFFAOYSA-N

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)

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Names and synonyms

5 names

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
ACT 064992
Propylsulfamic acid N-[5-(4-bromophenyl)-6-[2-[(5-bromopyrimidin-2-yl)oxy]ethoxy]pyrimidin-4-yl]amide
Opsumit

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Elsewhere

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