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Cafedrine

CAT: 0013-GTR19195243-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195243-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cafedrine is a CNS stimulant naturally present in tea and coffee. It is primarily used in research, often in a fixed 20:1 ratio with cortisone, for investigating acute hypotension in experimental models. Studies explore its hemodynamic effects in both in vivo and in vitro settings.
CAS Number
58166-83-9
Product Name Alternative
Cafedrin, Cafedrine
Field of Research
Pharmacology & Drug Discovery
Purity
99.74% (May vary between batches)
Smiles
C (CN[C@H] ([C@H] (O) C1=CC=CC=C1) C) N2C3=C (N (C) C (=O) N (C) C3=O) N=C2
Molecular Formula
C18H23N5O3
Molecular Weight
357.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,7-Dihydro-7-(2-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6-dione

Cafedrine is an oxopurine.

CAS Number58166-83-9
PubChem CID5489638
IUPAC Name7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC18H23N5O3
Molecular Weight357.4
XLogP0.3
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity525
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1
InChIKey
UJSKUDDDPKGBJY-WFASDCNBSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dihydro-7-(2-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6-dione
CAS: 58166-83-9
CID: 5489638
Formula: C18H23N5O3
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass357.18008961
Monoisotopic Mass357.18008961
Topological Polar Surface Area90.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30686-01Cafedrine
TRC-C799035-100MG(-)-Cafedrine
443757-01(-) -Cafedrine
HY-157655Cafedrine-theodrenaline
MBS5780314Cafedrine HCl
CS-O-51893N-Nitroso Cafedrine
CS-O-61242Rac-Cafedrine Nitroso Impurity 1

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