Iloperidone Impurity 13

CAT: 1596-AR-I01274-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I01274-06Size:250 Units

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CAS Number

531524-17-1

Synonyms

6-fluoro-3- (1- (3- (piperidin-4-yl) benzo[d]isoxazol-6-yl) piperidin-4-yl) benzo[d]isoxazole

Molecular Formula

C24H25FN4O2

Molecular Weight

420.49

API Name

Iloperidone

Chemical Information

6-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-3-(4-piperidinyl)-1,2-benzisoxazole

CAS Number	531524-17-1
PubChem CID	59017606
IUPAC Name	6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole
Molecular Formula	C24H25FN4O2
Molecular Weight	420.5
XLogP	4.1
Topological Polar Surface Area	67.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	612

SMILES

C1CNCCC1C2=NOC3=C2C=CC(=C3)N4CCC(CC4)C5=NOC6=C5C=CC(=C6)F

InChI

InChI=1S/C24H25FN4O2/c25-17-1-3-19-21(13-17)30-28-24(19)16-7-11-29(12-8-16)18-2-4-20-22(14-18)31-27-23(20)15-5-9-26-10-6-15/h1-4,13-16,26H,5-12H2

InChIKey

LLIWRHGEHGEQJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 531524-17-1

CID: 59017606

Formula: C24H25FN4O2

MW: 420.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	420.19615422
Monoisotopic Mass	420.19615422
Topological Polar Surface Area	67.3 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	612
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-I03314-01	Iloperidone Impurity 28
AR-I01278-01	Iloperidone Impurity 18
AR-I01260-01	Iloperidone Hydroxypropoxy Impurity
AR-I01266-01	Iloperidone Impurity 5
AR-I03313-01	Iloperidone Bromopropoxy Impurity
AR-I01283-01	Iloperidone Impurity 23
AR-I01277-01	Iloperidone Impurity 17
AR-I01275-01	Iloperidone Impurity 14
AR-I01271-01	Iloperidone Impurity 10
AR-I01269-01	Iloperidone Impurity 8

Catalog	Name
RM-I121609-01	Iloperidone Impurity 9
RM-I121605-01	Iloperidone Impurity 5
sc-499488	Desfluoro iloperidone impurity
RM-I121610-01	Iloperidone Impurity 10
RM-I121601-01	Iloperidone Impurity 1
TRC-I267220-25MG	Iloperidone Dimer Impurity
RM-I121608-01	Iloperidone Impurity 8
RM-I121607-01	Iloperidone Impurity 7
RM-I121606-01	Iloperidone Impurity 6
RM-I121604-01	Iloperidone Impurity 4