Benfluorex Hydrochloride

CAT: 0024-sc-291931BSize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-291931BSize:5 g

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CAS Number

23642-66-2

Chemical Information

Benfluorex hydrochloride

CAS Number	23642-66-2
PubChem CID	198015
IUPAC Name	2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate;hydrochloride
Molecular Formula	C19H21ClF3NO2
Molecular Weight	387.8
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	408

SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H

InChIKey

NLOALSPYZIIXEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23642-66-2

CID: 198015

Formula: C19H21ClF3NO2

MW: 387.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	387.1212911
Monoisotopic Mass	387.1212911
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	408
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	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-484076	2-[[1-Methyl-2-[2- (trifluoromethyl) phenyl]ethyl]amino]ethanol 1-Benzoate Hydrochloride (Benfluorex Impurity)
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sc-203794A	A-7 hydrochloride
sc-202974A	Bepridil hydrochloride
sc-278836	Chlorcyclizine hydrochloride
sc-204863C	Propafenone Hydrochloride

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