Haloperidol EP Impurity D

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CAS Number

67987-08-0

Synonyms

4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -1- (4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) phenyl) butan-1-one; Haloperidol Impurity A; USP Haloperidol Related Compound A

Molecular Formula

C32H36Cl2N2O3

Molecular Weight

567.55

API Name

Haloperidol

Chemical Information

4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)phenyl)butan-1-one

CAS Number	67987-08-0
PubChem CID	16657446
IUPAC Name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]butan-1-one
Molecular Formula	C32H36Cl2N2O3
Molecular Weight	567.5
XLogP	5
Topological Polar Surface Area	64
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	772

SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C32H36Cl2N2O3/c33-27-9-5-25(6-10-27)31(38)15-20-35(21-16-31)19-1-2-30(37)24-3-13-29(14-4-24)36-22-17-32(39,18-23-36)26-7-11-28(34)12-8-26/h3-14,38-39H,1-2,15-23H2

InChIKey

KZKALOHEEHRXFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67987-08-0

CID: 16657446

Formula: C32H36Cl2N2O3

MW: 567.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	567.5
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	566.2102984
Monoisotopic Mass	566.2102984
Topological Polar Surface Area	64 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	772
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

Related Products

Catalog	Name
AR-H01047-01	Haloperidol Decanoate EP Impurity D
AR-H01034-01	Haloperidol EP Impurity A
AR-H01036-01	Haloperidol EP Impurity C
AR-H01033-01	Haloperidol EP Impurity F
AR-H01035-01	Haloperidol EP Impurity B
AR-H07311-01	Haloperidol Decanoate EP Impurity A
AR-H07314-01	Haloperidol Decanoate EP Impurity L
AR-H07313-01	Haloperidol Decanoate EP Impurity C
AR-H01046-01	Haloperidol Decanoate EP Impurity E
AR-H01054-01	Haloperidol Decanoate EP Impurity J

Alternative Products

Catalog	Name
sc-211217	Dechloro Haloperidol (Haloperidol Impurity B)
RM-H121600-01	Haloperidol; Haloperidol Decanoate EP Impurity G
RM-H121610-01	Haloperidol Impurity 10
RM-H121611-01	Haloperidol Impurity 11
RM-H121614-01	Haloperidol Impurity 14
RM-H121615-01	Haloperidol Impurity 15
RM-H121637-01	Haloperidol Impurity 37
RM-H121643-01	Haloperidol Impurity 43
RM-H121644-01	Haloperidol Impurity 44
RM-H121661-01	Haloperidol Impurity 61

Haloperidol EP Impurity D

Chemical Information

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