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Lysine theophylline

CAT: 0931-T33062Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33062Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83920-54-1
Target
Others
Related Pathways
Others
Bioactivity
Lysine theophylline is a soluble theophylline.
Smiles
[C@H](CCCCN)(C(O)=O)N.O=C1C2=C(N(C)C(=O)N1C)N=CN2
Molecular Formula
C13H22N6O4
Molecular Weight
326.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lysine theophyllinate

soluble theophylline

CAS Number83920-54-1
PubChem CID134381
IUPAC Name(2S)-2,6-diaminohexanoic acid;1,3-dimethyl-7H-purine-2,6-dione
Molecular FormulaC13H22N6O4
Molecular Weight326.35
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity373
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CCN)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H8N4O2.C6H14N2O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3-5(8)6(9)10/h3H,1-2H3,(H,8,9);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIKey
UBLVUWUKNHKCJJ-ZSCHJXSPSA-N
Chemical Structure
2D Structure
2D structure of Lysine theophyllinate
CAS: 83920-54-1
CID: 134381
Formula: C13H22N6O4
MW: 326.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass326.17025320
Monoisotopic Mass326.17025320
Topological Polar Surface Area159 Ų
Heavy Atom Count23
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5782627Lysine theophylline
HY-130054Theophylline (L-lysine)
N1442-5000Theophylline

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