Haloperidol Impurity 55

CAT: 1299-RM-H121655-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H121655-01Size:10 mg

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CAS Number

16332-18-6

Synonyms

1-benzyl-4- (4-bromophenyl) piperidin-4-ol

Molecular Formula

C18H20BrNO

Molecular Weight

346.27

Target Alternative Name

Haloperidol

Product Name Synonym

1-benzyl-4- (4-bromophenyl) piperidin-4-ol

Chemical Information

1-Benzyl-4-(4-bromophenyl)piperidin-4-ol

CAS Number	16332-18-6
PubChem CID	5333525
IUPAC Name	1-benzyl-4-(4-bromophenyl)piperidin-4-ol
Molecular Formula	C18H20BrNO
Molecular Weight	346.3
XLogP	3.6
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	313

SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20BrNO/c19-17-8-6-16(7-9-17)18(21)10-12-20(13-11-18)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2

InChIKey

MZPGLOYTGMFUGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16332-18-6

CID: 5333525

Formula: C18H20BrNO

MW: 346.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.3
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	345.07283
Monoisotopic Mass	345.07283
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	313
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
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
RM-H121658-01	Haloperidol Impurity 58

Catalog	Name
sc-211217	Dechloro Haloperidol (Haloperidol Impurity B)
AR-H07341-01	Haloperidol Impurity 8
AR-H07395-01	Haloperidol Impurity 11
AR-H07392-01	Haloperidol Impurity 7
AR-H07401-01	Haloperidol Impurity 18
AR-H07391-01	Haloperidol Impurity 6
AR-H07390-01	Haloperidol Impurity 5
FH158068-01	Haloperidol Impurity D
AR-H01034-01	Haloperidol EP Impurity A
AR-H07417-01	Haloperidol Impurity 13