Basic information
- CAS
53684-49-4- Standard SMILES
CC(C)(C)NCC(O)COc1ccccc1OCC1CCCO1- InChIKey
AKLNLVOZXMQGSI-UHFFFAOYSA-N- Molecular formula
- C18H29NO4
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.20965841
Overview
Bufetolol is an aromatic ether.
Names & identifiers
- Preferred name
- Bufetolol
- IUPAC
- 1-(tert-butylamino)-3-[2-(oxolan-2-ylmethoxy)phenoxy]propan-2-ol
- English name
- Bufetolol
- Molecular formula
- C18H29NO4
- Molecular weight
- 323.43
Names & synonyms
Bufetolol53684-49-4BufetololumDTXSID9057763Y 6124 FREE BASEY-6124 FREE BASEWS1467RT9ZDTXCID00315521-tert-butylamino-3-(o-(tetrahydrofurfuryloxy)phenoxy)-2-propanolbufetololoRefChem:121852Bufetolol [INN]
Show more names
1-[2-(Oxolan-2-ylmethyloxy)phenyloxy]-3-(tert-butylamino)-2-propanolN-tert-Butyl-2-hydroxy-3-[o-(tetrahydrofuran-2-ylmethyloxy)phenoxy]-1-propanamine2-[3-(tert-Butylamino)-2-hydroxypropyloxy]-1-[(tetrahydrofuran-2-ylmethyl)oxy]benzene2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-[(tetrahydro-2-furanyl)methoxy]phenoxy]-
1-(tert-butylamino)-3-[2-(oxolan-2-ylmethoxy)phenoxy]propan-2-ol1-(tert-Butylamino)-3-(o-((tetrahydrofurfuryl)oxy)phenoxy)-2-propanolBufetololum [INN-Latin]UNII-WS1467RT9ZBUFETOLOL [MI]BUFETOLOL [WHO-DD]SCHEMBL78862CHEMBL347830
Database identifiers
- CAS
53684-49-4- PubChem CID
- 2465
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 0.07 · bp0.07 180-186°
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly),
- form
- Oil
- pka
- 13.91 · 13.91±0.20(Predicted)
- color
- Colourless
- FDA UNII
- 1467 RT9Z · WS1467RT9Z
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Applications
UsesBufetolol is a β-adrenergic blocking agent and it inhibits the activation of adenyl cyclase.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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