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Chemical structure of Nafetolol

GC72891

Nafetolol

Also known as 6-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol

Nafetolol (K 5407), specifically effective on cardiac (β1)-adrenoceptors, is an orally active β blocking agent, with a t1/2 of ~ 2 h in dogs

ChemicalCAS42050-23-7MW319.44FormulaC19H29NO3
CAS number
42050-23-7
Molecular weight
319.44
Formula
C19H29NO3
Solubility
DMSO ： 45 mg/mL (140·87 mM; Need ultrasonic and warming)
InChIKey
GEVXLKYQQIKELK-UHFFFAOYSA-N
Catalogue number
GC72891
Brand
GLPBIO
Computed properties PubChem CID 68668 · XLogP 3.3 · TPSA 61.7 Ų · H-bond donors 3
XLogP
3.3
TPSA
61.7 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23

SMILES CC(C)(C)NCC(COC1=C2C3CCC(C2=C(C=C1)O)CC3)O

Computed descriptors from PubChem (CID 68668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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