Benzyl Sibutramine

CAT: 1596-AR-S09297-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S09297-01Size:10 Units

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CAS Number

1446140-91-5

Synonyms

α-[1- (4-Chlorophenyl) cyclobutyl]-N, N-dimethylbenzeneethanamine

Molecular Formula

C20H24ClN

Molecular Weight

313.86

API Name

Sibutramine

Chemical Information

Benzylsibutramine

analog of sibutramine; structure in first source

CAS Number	1446140-91-5
PubChem CID	112500541
IUPAC Name	1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-2-phenylethanamine
Molecular Formula	C20H24ClN
Molecular Weight	313.9
XLogP	5.7
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	336

SMILES

CN(C)C(CC1=CC=CC=C1)C2(CCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN/c1-22(2)19(15-16-7-4-3-5-8-16)20(13-6-14-20)17-9-11-18(21)12-10-17/h3-5,7-12,19H,6,13-15H2,1-2H3

InChIKey

LHZSUCMYGFCXNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446140-91-5

CID: 112500541

Formula: C20H24ClN

MW: 313.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.9
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	313.1597275
Monoisotopic Mass	313.1597275
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	336
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
AR-S01332-01	Sibutramine HCl
AR-S10230-01	Sibutramine Impurity 5
AR-S01340-01	Chloro-Sibutramine HCl
AR-S01333-01	Sibutramine-d7 HCl
AR-S09298-01	Sibutramine Hydrochloride Monohydrate
AR-S10229-01	Sibutramine Impurity 4
AR-S10231-01	Sibutramine Impurity 6
AR-S01341-01	Homo Sibutramine HCl
AR-S01346-01	Sibutramine Impurity J
AR-S10227-01	Sibutramine Impurity 1

Catalog	Name
RM-S022030-01	Benzyl Sibutramine HCl controlled substance
TRC-S422495-250MG	(±)-Sibutramine
AT282	Sibutramine
466079	(±) -Sibutramine
TGA83559-01	Desmethyl sibutramine
D3545-88	Didesmethyl Sibutramine
MBS6047871-01	Sibutramine-d6
GTR19153599-01	Sibutramine hydrochloride
DAG-WZ1051K	Sibutramine [KLH]
444360-01	Chloro-sibutramine