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Haloperidol Decanoate EP Impurity E

CAT: 1596-AR-H01046-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01046-02Size:25 Units
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CAS Number
1796933-22-6
Synonyms
4- (4'-chloro-[1,1'-biphenyl]-4-yl) -1- (4- (4-fluorophenyl) -4-oxobutyl) piperidin-4-yldecanoate; 4-Dechloro-4- (4-chlorophenyl) Haloperidol Decanoate
Molecular Formula
C37H45ClFNO3
Molecular Weight
606.23
API Name
Haloperidol

Chemical Information

4-(4'-Chlorobiphenyl-4-yl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl decanoate
CAS Number1796933-22-6
PubChem CID76960223
IUPAC Name[4-[4-(4-chlorophenyl)phenyl]-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate
Molecular FormulaC37H45ClFNO3
Molecular Weight606.2
XLogP9.5
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count43
Formal Charge0
Complexity807
SMILES
CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C37H45ClFNO3/c1-2-3-4-5-6-7-8-11-36(42)43-37(32-18-12-29(13-19-32)30-14-20-33(38)21-15-30)24-27-40(28-25-37)26-9-10-35(41)31-16-22-34(39)23-17-31/h12-23H,2-11,24-28H2,1H3
InChIKey
XPAXKIJBEFRIHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4'-Chlorobiphenyl-4-yl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl decanoate
CAS: 1796933-22-6
CID: 76960223
Formula: C37H45ClFNO3
MW: 606.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.2
XLogP39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass605.3072002
Monoisotopic Mass605.3072002
Topological Polar Surface Area46.6 Ų
Heavy Atom Count43
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-H07311-01Haloperidol Decanoate EP Impurity A
AR-H07314-01Haloperidol Decanoate EP Impurity L
AR-H07313-01Haloperidol Decanoate EP Impurity C
AR-H01054-01Haloperidol Decanoate EP Impurity J
AR-H01047-01Haloperidol Decanoate EP Impurity D
AR-H01052-01Haloperidol Decanoate EP Impurity H
AR-H01050-01Haloperidol Decanoate EP Impurity A HCl
AR-H01053-01Haloperidol Decanoate EP Impurity I
AR-H07409-01Haloperidol Decanoate EP Impurity A HCl
AR-H07312-01Haloperidol Decanoate EP Impurity B

Alternative Products

CatalogName
RM-H121600-01Haloperidol; Haloperidol Decanoate EP Impurity G
RM-B181611-01Bromperidol Decanoate EP Impurity A; Haloperidol Decanoate EP Impurity A
RM-H121629-01Haloperidol Decanoate EP Impurity J
RM-H121630-01Haloperidol Decanoate EP Impurity K
RM-H121623-01Haloperidol Decanoate EP Impurity E
RM-H121622-01Haloperidol Decanoate EP Impurity D
RM-H121621-01Haloperidol Decanoate EP Impurity C
RM-H121626-01Haloperidol Decanoate EP Impurity H
RM-H121624-01Haloperidol Decanoate EP Impurity F
RM-H121628-01Haloperidol Decanoate EP Impurity I

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