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Chemical structure of Theodrenaline ((±)-Theodrenaline)

GC32621

Theodrenaline ((±)-Theodrenaline)

Also known as 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione

Theodrenaline ((±)-Theodrenaline) is a cardiac stimulant, also acts as an anti-hypotensive agent together with cafedrine

ChemicalCAS13460-98-5MW375.38FormulaC17H21N5O5
CAS number
13460-98-5
Molecular weight
375.38
Formula
C17H21N5O5
Solubility
Soluble in DMSO
InChIKey
WMCMJIGLYZDKRN-UHFFFAOYSA-N
Catalogue number
GC32621
Brand
GLPBIO
Computed properties PubChem CID 71857 · XLogP -0.8 · TPSA 131 Ų · H-bond donors 4
XLogP
-0.8
TPSA
131 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27

SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O

Computed descriptors from PubChem (CID 71857), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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