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Palosuran 5mg

CAT: 0628-A13300-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13300-5Size:5 mg
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CAS Number
540769-28-6

Chemical Information

Palosuran

Palosuran is a small molecule drug. The usage of the INN stem '-osuran' in the name indicates that Palosuran is a urotensin receptor antagonist. Palosuran has a monoisotopic molecular weight of 418.24 Da.

CAS Number540769-28-6
PubChem CID10173280
IUPAC Name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea
Molecular FormulaC25H30N4O2
Molecular Weight418.5
XLogP3.3
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity572
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)(CC4=CC=CC=C4)O
InChI
InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
InChIKey
WYJCYXOCHXWTHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palosuran
CAS: 540769-28-6
CID: 10173280
Formula: C25H30N4O2
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass418.23687621
Monoisotopic Mass418.23687621
Topological Polar Surface Area77.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B1304-5.1Palosuran
HY-10655R-01Palosuran (Standard)
MBS3609463-01Palosuran hydrochloride
HY-10655A-01Palosuran (hydrochloride)
MBS577763ACT 058362; Palosuran
HY-10655ARPalosuran (hydrochloride) (Standard)
MBS3607704-01Palosuran hydrochloride 540769-28-6 (free base)
MBS5750757Palosuran Hydrochloride 540769-28-6(Free Base)

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