AG00DB75

540769-28-6 | Urea, N-[2-[4-hydroxy-4-(phenylMethyl)-1-piperidinyl]ethyl]-N'-(2-Methyl-4-quinolinyl)-

AG00DB75

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CAS Number	540769-28-6
Catalog Number	AG00DB75(AGN-PC-0SGHGZ)
Chemical Name	Urea, N-[2-[4-hydroxy-4-(phenylMethyl)-1-piperidinyl]ethyl]-N'-(2-Methyl-4-quinolinyl)-
IUPAC Name	1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea
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)
InChI Key	WYJCYXOCHXWTHG-UHFFFAOYSA-N
MDL Number	MFCD07772352
Molecular Formula	C25H30N4O2
Molecular Weight	418.5313
SMILES	O=C(NC1=CC(C)=NC2=C1C=CC=C2)NCCN3CCC(O)(CC3)CC4=CC=CC=C4
UNII	ULD9ZKE457
Synonyms	1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea, 1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea sulfate salt, ACT 058362, ACT-058362, ACT058362, palosuran, Palosuran, 540769-28-6, ACT-058362, UNII-ULD9ZKE457, 1-(2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea, ACT 058362, ULD9ZKE457, CHEMBL567303, Urea, N-[2-[4-hydroxy-4-(phenylMethyl)-1-piperidinyl]ethyl]-N'-(2-Methyl-4-quinolinyl)-, Palosuran [INN], 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea, Urea, N-(2-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)ethyl)-N'-(2-methyl-4-quinolinyl)-, ACT 058362; Palosuran, ACT058362 (Palosuran), GTPL3516, SCHEMBL1363480, DTXSID00202406, WYJCYXOCHXWTHG-UHFFFAOYSA-N, BCP15786, BDBM50302272, MFCD07772352, ZINC34375693, 1-(2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl-3-(2-methylquinolin-4-yl)urea, AKOS026750332, CS-1722, NCGC00408890-01, HY-10655, SC-87805, 1-[2-(4-Hydroxy-4-benzylpiperidino)ethyl]-3-(2-methylquinoline-4-yl)urea, 1-[2-(4-Benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea, 1-[2-[4-hydroxy-4-(phenylmethyl)piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea, N-[2-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]ethyl]-N'-(2-methyl-4-quinolinyl)-Urea, D08FGX, CHEMBL1164032, CID10173280, B1304, A13300, 1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea hydrochloride, 1-[2-(4-benzyl-4-hydroxy-1-piperidyl)ethyl]-3-(2-methylquinolin-4-yl)urea,

Complexity	572
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.237g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	418.541g/mol
Monoisotopic Mass	418.237g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	77.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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