Sibutramine Impurity 36

CAT: 1299-RM-S022036-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S022036-01Size:10 mg

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CAS Number

186521-85-7

Synonyms

1- (1- (4-chlorophenyl) cyclobutyl) -3-methylbutan-1-one

Molecular Formula

C15H19ClO

Molecular Weight

250.76

Target Alternative Name

Sibutramine

Product Name Synonym

1- (1- (4-chlorophenyl) cyclobutyl) -3-methylbutan-1-one

Chemical Information

1-(1-(4-Chlorophenyl)cyclobutyl)-3-methylbutan-1-one

CAS Number	186521-85-7
PubChem CID	53445903
IUPAC Name	1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one
Molecular Formula	C15H19ClO
Molecular Weight	250.76
XLogP	4.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	273

SMILES

CC(C)CC(=O)C1(CCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3

InChIKey

FIYKEZSYKZRWDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186521-85-7

CID: 53445903

Formula: C15H19ClO

MW: 250.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.76
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	250.1124429
Monoisotopic Mass	250.1124429
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	273
Isotope Atom Count	0
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
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RM-S022039-01	Sibutramine Impurity 39
RM-S022034-01	Sibutramine Impurity 34
RM-S022035-01	Sibutramine Impurity 35
RM-S022038-01	Sibutramine Impurity 38 controlled substance
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RM-L151436-01	Lornoxicam Impurity 36
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