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Protheobromine

CAT: 0931-T24669-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24669-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-39-5
Target
Others
Related Pathways
Others
Bioactivity
Protheobromine is a diuretic drug.
Smiles
O=C1C2=C(N(C)C(=O)N1CC(C)O)N=CN2C
Molecular Formula
C10H14N4O3
Molecular Weight
238.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Protheobromine

Protheobromine is an oxopurine.

CAS Number50-39-5
PubChem CID66120
IUPAC Name1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Molecular FormulaC10H14N4O3
Molecular Weight238.24
XLogP-0.3
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity348
SMILES
CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI
InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3
InChIKey
MXRGZXBFSKSZPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Protheobromine
CAS: 50-39-5
CID: 66120
Formula: C10H14N4O3
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass238.10659032
Monoisotopic Mass238.10659032
Topological Polar Surface Area78.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-121985Protheobromine

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