Dihydro Flupentixol

CAT: 0024-sc-498853Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-498853Size:10 mg

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CAS Number

14141-25-4

Chemical Information

Dihydro Flupentixol

CAS Number	14141-25-4
PubChem CID	71316198
IUPAC Name	2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl]piperazin-1-yl]ethanol
Molecular Formula	C23H27F3N2OS
Molecular Weight	436.5
XLogP	4.5
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	541

SMILES

C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C23H27F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4,6-8,16,18,29H,3,5,9-15H2

InChIKey

KQKMVCKAKBHVAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14141-25-4

CID: 71316198

Formula: C23H27F3N2OS

MW: 436.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	436.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	436.17961915
Monoisotopic Mass	436.17961915
Topological Polar Surface Area	52 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	541
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-217907	Cis- (Z) -Flupentixol Methanethiosulfonate
sc-220302	Trans- (E) -Flupentixol Methanethiosulfonate
sc-211405	(E/Z) -Flupentixol Dihydrochloride
sc-213077	Trans- (E) -Flupentixol Dihydrochloride
sc-220301	Trans- (E) -Flupentixol Bromide, Dihydrobromide
sc-218293	(E/Z) -Flupentixol-d4 Dihydrochloride
sc-217906	Cis- (Z) -Flupentixol Bromide, Dihydrobromide
sc-491550	O- (2-Hydroxyethyl) Flupentixol Dihydrochloride
sc-491552	O- (2-Hydroxyethyl) Flupentixol-d4 Dihydrochloride
sc-211335	Dihydro Fenofibrate

Catalog	Name
PAA14125-01	Dihydro flupentixol
VWC02521-01	Dihydro flupentixol-d4
GFB41950-01	Flupentixol
CS-O-60452	Flupentixol-d4
T5135-01	Flupentixol dihydrochloride
T29256-01	(E)-Flupentixol
CS-O-60453	Flupentixol-d8
HY-15856B-01	Flupentixol (dihydrochloride)
RM-F121612-01	Flupentixol Impurity 12
T68862-01	Flupentixol decanoate, (Z) -