Molecular Identity
betaxolol
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID: 2369
Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. It has a role as a beta-adrenergic antagonist, an antihypertensive agent and a sympatholytic agent.
2D Structure
Properties
C18H29NO3
Molecular Formula
307.40
Molecular Weight
g/mol
307.2147
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
50.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
286
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
betaxolol63659-18-7BetaxololumSL 75212O0ZR1R6RZ21-(4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanolDTXSID2022674ALO-140102 FREE BASE2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-SL-7521210 FREE BASE1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-olCHEBI:3082DTXCID1026741-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol1-{4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
Data from PubChem (NCBI)
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Drug Network
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