Selexipag

CAT: 0127-BUP16217-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16217-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

475086-01-2

Synonyms

NS-304, ACT-293987, Uptravi

Purity

=98%

Smiles

N(CCCCOCC(NS(C)(=O)=O)=O)(C(C)C)C=1N=C(C(=NC1)C2=CC=CC=C2)C3=CC=CC=C3

Chemical Information

Selexipag

Selexipag is a member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid). It has a role as a vasodilator agent, a prodrug, a platelet aggregation inhibitor, an orphan drug and a prostacyclin receptor agonist. It is an ether, a monocarboxylic acid amide, an aromatic amine, a member of pyrazines, a tertiary amino compound and a N-sulfonylcarboxamide. It is functionally related to an ACT-333679.

CAS Number	475086-01-2
PubChem CID	9913767
IUPAC Name	2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide
Molecular Formula	C26H32N4O4S
Molecular Weight	496.6
XLogP	3.8
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	35
Formal Charge	0
Complexity	730

SMILES

CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)

InChIKey

QXWZQTURMXZVHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 475086-01-2

CID: 9913767

Formula: C26H32N4O4S

MW: 496.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	496.6
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	496.21442669
Monoisotopic Mass	496.21442669
Topological Polar Surface Area	110 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	730
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FD106425-01	Selexipag
466013	Selexipag-d8
TMIH-0520-01	Selexipag-d7
HY-14870R-01	Selexipag (Standard)
466012-01	Selexipag-d10

Selexipag

Chemical Information

Alternative Products

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