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rac Lenalidomide-13C5

CAT: 0572-TRC-L328002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L328002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219332-91-8
Hazard Statement
Suspected of damaging fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
Nc1cccc2C(=O)N(Cc12)[13CH]3[13CH2][13CH2][13C](=O)N[13C]3=O
Molecular Formula
C813C5H13N3O3
Molecular Weight
264.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

rac Lenalidomide-13C5
CAS Number1219332-91-8
PubChem CID46782050
IUPAC Name3-(7-amino-3-oxo-1H-isoindol-2-yl)(2,3,4,5,6-13C5)azinane-2,6-dione
Molecular FormulaC13H13N3O3
Molecular Weight264.22
XLogP-0.5
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity437
SMILES
C1C2=C(C=CC=C2N)C(=O)N1[13CH]3[13CH2][13CH2][13C](=O)N[13C]3=O
InChI
InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i4+1,5+1,10+1,11+1,12+1
InChIKey
GOTYRUGSSMKFNF-GSUYAWNGSA-N
Chemical Structure
2D Structure
2D structure of rac Lenalidomide-13C5
CAS: 1219332-91-8
CID: 46782050
Formula: C13H13N3O3
MW: 264.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.22
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass264.11246546
Monoisotopic Mass264.11246546
Topological Polar Surface Area92.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity437
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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