Lurasidone Cis Mesylate

CAT: 1596-AR-L07983-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07983-01Size:50 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

66347-68-0

Synonyms

((1R,2S) -cyclohexane-1,2-diyl) bis (methylene) dimethanesulfonate

Molecular Formula

C10H20O6S2

Molecular Weight

300.38

API Name

Lurasidone

Chemical Information

Cyclohexane-1,2-diyldimethanediyl dimethanesulfonate

CAS Number	66347-68-0
PubChem CID	274363
IUPAC Name	[2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
Molecular Formula	C10H20O6S2
Molecular Weight	300.4
XLogP	1.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	398

SMILES

CS(=O)(=O)OCC1CCCCC1COS(=O)(=O)C

InChI

InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3

InChIKey

JIHKCHWEXXZTOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66347-68-0

CID: 274363

Formula: C10H20O6S2

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	300.07013070
Monoisotopic Mass	300.07013070
Topological Polar Surface Area	104 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L01834-01	Lurasidone Impurity (Exo cis dehydro Lurasidone)
AR-L08005-01	Ent-Lurasidone Impurity 34 Mesylate
AR-L06340-01	Exo-cis-Lurasidone (R, S) Impurity
AR-L06039-01	Exo-cis-Lurasidone Hydrochloride, mixture of enantiomers
AR-L06341-01	Exo-cis-Lurasidone (S, R) Impurity
AR-L02098-01	Lurasidone
AR-L02099-01	Lurasidone-d8
AR-I08086-01	Lurasidone Sulfoxide
AR-L14574-01	Lurasidone Hydrochloride
AR-L02135-01	Endo-Lurasidone