Basic information
- CAS
31969-05-8- Standard SMILES
CC(C)(C)[NH2+]CC(O)COc1cccc2c1CCCC2=O.[Cl-]- InChIKey
DNTDOBSIBZKFCP-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Overview
See also: Bunolol Hydrochloride (preferred); Levobunolol (related).
Names & identifiers
- Preferred name
- tert-butyl-[2-hydroxy-3-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propyl]azanium chloride
- IUPAC
- tert-butyl-[2-hydroxy-3-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propyl]azanium chloride
- English name
- Bunolol
- Molecular formula
- C17H26ClNO3
- Molecular weight
- 327.84624
Names & synonyms
W 6412ACCRIS 1062Bunolol HCldl-Bunolol Hydrochloriderac-Bunolol HydrochlorideBunolol Hydrochloride 1.0 mg/ml in Methanol (as free base)5-[3-[(1,1-DiMethylethyl)aMino]-2-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone Hydrochloride
Database identifiers
- CAS
31969-05-8- PubChem CID
- 34060
Properties
Computed structural properties
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 0 Q9J8634Z · W0Q9J8634Z
Chemistry & industry
Applications
Usesrac-Bunolol is a non-selective -adrenoceptor antagonist used as an anticonvulsant.
Suppliers11 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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