AG003TT4

362665-56-3 | Pitolisant (BF2.649)

AG003TT4

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CAS Number	362665-56-3
Catalog Number	AG003TT4(AGN-PC-0MW5N5)
Chemical Name	Pitolisant (BF2.649)
IUPAC Name	1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
InChI	InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
InChI Key	NNACHAUCXXVJSP-UHFFFAOYSA-N
MDL Number	MFCD18782650
Molecular Formula	C17H26ClNO
Molecular Weight	295.8474
SMILES	Clc1ccc(cc1)CCCOCCCN1CCCCC1
UNII	4BC83L4PIY
Synonyms	1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine, BF2.649, pitolisant, tiprolisant, Pitolisant, 362665-56-3, TIPROLISANT, BF2.649, Pitolisant (BF2.649), 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine, UNII-4BC83L4PIY, 1-(3-(3-(4-Chlorophenyl)propoxy)propyl)piperidine, 4BC83L4PIY, Piperidine, 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-, CHEMBL462605, wakix, 1-[3-[3-(4-Chlorophenyl)propoxy]propyl]-piperidinehydrochloride, 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidine, Tirolisant, Pitolisant (INN), tiprolisant [USAN], Wakix (TN), Pitolisant [USAN:INN], SCHEMBL117648, GTPL8924, CTK1B6404, HBS-101, CHEBI:134709, NNACHAUCXXVJSP-UHFFFAOYSA-N, BCP13114, KS-000002GS, 3973AH, BDBM50247053, MFCD18782650, ZINC34045468, AKOS028108820, API0014072, CS-0666, SB17037, HY-12199, D10749, W-5790, 3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether, 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-piperidine, Pitolisant [INN], Tiprolisant [INN], Pitolisant hydrochloride, tiprolisant hydrochloride, C17H26ClNO, D01UUD, CID9948102, C516975, 903576-44-3,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.17g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	295.851g/mol
Monoisotopic Mass	295.17g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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