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Ezetimibe Impurity 58

CAT: 1299-RM-E262058-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262058-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112022-83-0
Synonyms
(R) -1-methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole
Molecular Formula
C18H20BNO
Molecular Weight
277.17
Target Alternative Name
Ezetimibe
Product Name Synonym
(R) -1-methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole

Chemical Information

(R)-2-Methyl-CBS-oxazaborolidine
CAS Number112022-83-0
PubChem CID9838490
IUPAC Name(3aR)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
Molecular FormulaC18H20BNO
Molecular Weight277.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity344
SMILES
B1(N2CCC[C@@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m1/s1
InChIKey
VMKAFJQFKBASMU-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-Methyl-CBS-oxazaborolidine
CAS: 112022-83-0
CID: 9838490
Formula: C18H20BNO
MW: 277.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass277.1637944
Monoisotopic Mass277.1637944
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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