Basic information
- CAS
27591-01-1- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2c1CCCC2=O- InChIKey
IXHBTMCLRNMKHZ-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Overview
(+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one is a naphthalenone. It is a conjugate base of a (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+).
Names & identifiers
- Preferred name
- (+-)-Bunolol
- IUPAC
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
- English name
- Bunolol
- Molecular formula
- C17H25NO3
- Molecular weight
- 291.39
Names & synonyms
Bunolol27591-01-1BunololoBunololumBRN 188724371QSY2UT3G5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-oneDTXSID70227025-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydro-2H-naphthalen-1-one(+-)-BunololRefChem:408805DTXCID402702
Show more names
BRN1887243BRN-18872435-(3-(tert-butylaMino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one5-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2h-naphthalen-1-one1(2H)-Naphthalenone, 5-3-(1,1-dimethylethyl)amino-2-hydroxypropoxy-3,4-dihydro-
W6412ABunolol [INN](+/-)-BunololRacemic bunolol;dl-Bunolol5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-W-6421A1(2H)-Naphthalenone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-
Database identifiers
- CAS
27591-01-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- pka
- 9.32 · pKa 9.32 (Uncertain)
- FDA UNII
- 71 QSY2UT3G · 71QSY2UT3G
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information1(2H)-Naphthalenone, 5-3-(1,1-dimethylethyl)amino-2-hydroxypropoxy-3,4-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
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.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Applications
UsesAnti-adrenergic ( β-receptor).
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
成都佰洋科技有限责任公司02861777709 13308012069 · [email protected]
Syntechem Co.,Ltd[email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Additional notes
DefinitionChEBI: (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one is a naphthalenone. It is a conjugate base of a (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…