Pitolisant impurity 6

CAT: 1596-AR-P31967-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31967-02Size:25 Units

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

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CAS Number

2858590-15-3

Molecular Formula

C17H24ClNO2

Molecular Weight

309.83

API Name

Pitolisant

Chemical Information

p-Chloro Oxopitolisant

CAS Number	2858590-15-3
PubChem CID	175665342
IUPAC Name	1-(4-chlorophenyl)-3-(3-piperidin-1-ylpropoxy)propan-1-one
Molecular Formula	C17H24ClNO2
Molecular Weight	309.8
XLogP	3.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	297

SMILES

C1CCN(CC1)CCCOCCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H24ClNO2/c18-16-7-5-15(6-8-16)17(20)9-14-21-13-4-12-19-10-2-1-3-11-19/h5-8H,1-4,9-14H2

InChIKey

BJGLVHFGRQANQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2858590-15-3

CID: 175665342

Formula: C17H24ClNO2

MW: 309.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.8
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	309.1495567
Monoisotopic Mass	309.1495567
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	297
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

Catalog	Name
AR-P31963-01	Pitolisant Impurity 3
AR-P31964-01	Pitolisant Impurity 4
AR-P31968-01	Pitolisant Impurity 7
AR-P31971-01	Pitolisant Impurity 1
AR-P33701-01	Pitolisant Despiperidine Impurity
AR-P33705-01	Pitolisant Impurity 10
AR-P31962-01	Pitolisant Impurity 2
AR-P33700-01	Pitolisant Deschloro Impurity
AR-P31966-01	Pitolisant Impurity 5 Chloride
AR-P31969-01	Pitolisant HCl