Haloperidol-D4

CAT: 1299-RM-H121645-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H121645-02Size:25 mg

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CAS Number

136765-35-0

Synonyms

4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -1- (4-fluorophenyl-2,3,5,6-d4) butan-1-one

Molecular Formula

C21H19D4ClFNO2

Molecular Weight

379.89

Target Alternative Name

Haloperidol

Product Name Synonym

4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -1- (4-fluorophenyl-2,3,5,6-d4) butan-1-one

Chemical Information

Haloperidol (D4')

CAS Number	136765-35-0
PubChem CID	45358996
IUPAC Name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
Molecular Formula	C21H23ClFNO2
Molecular Weight	379.9
XLogP	3.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	451

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)[2H])[2H])F)[2H]

InChI

InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/i3D,4D,9D,10D

InChIKey

LNEPOXFFQSENCJ-AKPGVGPLSA-N

Chemical Structure

2D Structure

CAS: 136765-35-0

CID: 45358996

Formula: C21H23ClFNO2

MW: 379.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.9
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	379.1652418
Monoisotopic Mass	379.1652418
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	451
Isotope Atom Count	4
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-H121631-01	Haloperidol Decanoate
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

Catalog	Name
T11536-01	Haloperidol (D4')
HY-14538S	Haloperidol-d4
T11535	Haloperidol D4
MBS3846394-01	Haloperidol D4'
CS-O-06657	Haloperidol-d4[Fluorophenyl-d4]
CS-T-78293	Haloperidol-d4 Decanoate
A21971-1	Haloperidol D4' 1mg
AR-H01026-01	Reduced Haloperidol-d4
A21961-5	Haloperidol D4 5mg
A21961-1	Haloperidol D4 1mg