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Sibutramine hydrochloride

CAT: 0862-GP4519-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GP4519-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125494-59-9
MDL Number
MFCD04039806
HS Code
2921490090
Purity
98.00%
Molecular Formula
C17H26ClN · HCl · H2O
Molecular Weight
316.31 (anhydrous)
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Meridia

See also: Sibutramine Hydrochloride (annotation moved to); Sibutramine (annotation moved to) ... View More ...

CAS Number125494-59-9
PubChem CID64765
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
Molecular FormulaC17H29Cl2NO
Molecular Weight334.3
Topological Polar Surface Area4.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity275
SMILES
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C.O.Cl
InChI
InChI=1S/C17H26ClN.ClH.H2O/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;;/h6-9,13,16H,5,10-12H2,1-4H3;1H;1H2
InChIKey
KFNNPQDSPLWLCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meridia
CAS: 125494-59-9
CID: 64765
Formula: C17H29Cl2NO
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass333.1626199
Monoisotopic Mass333.1626199
Topological Polar Surface Area4.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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