Basic information
- CAS
83688-84-0- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2c1SCCC2- InChIKey
HTWFXPCUFWKXOP-UHFFFAOYSA-N- Molecular formula
- C16H25NO2S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.16060021
Overview
Tertatolol is a thiochromane.
Names & identifiers
- Preferred name
- Tertatolol
- IUPAC
- 1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol
- English name
- 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol
- Molecular formula
- C16H25NO2S
- Molecular weight
- 295.4402
Names & synonyms
TERTATOLOL83688-84-0Racemic teraterol9ZO341YQXPS-2395DTXSID80865735SE-23951-((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-2-propanol1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-olTertatololumtertatololotert-butyl(3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl)amine
Show more names
Einecs 280-519-9RaceMic TertatololTertatolol [ban:inn]Fluoroestradiol Impurity 151-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-1-[[(3,4-Dihydro-2H-1-benzothiopyran)-8-yl]oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol
tert-butyl[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amineRefChem:188304C07AA16DL-8-(2'-hydroxy-3'-t-butylaminopropyloxy)thiochroman.HClDTXCID008141092-propanol, 1-((3,40dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-280-519-9rac Tertatolol
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 70 · 70-72 °C
- Boiling point
- 465 · 465.0±45.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 13.84 · 13.84±0.20(Predicted)
- FDA UNII
- 9 ZO341YQXP · 9ZO341YQXP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
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.
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Cellular LocationsMembrane
Applications
UsesTertatolol is a benzothiopyran derivative used as an antihypertensive agent. Tertatolol is a β-adrenoceptor blocking agent.
Uses1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol is a benzothiopyran derivative used as an antihypertensive agent. Tertatolol is a β-adrenoceptor blocking agent.
Suppliers12 total
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]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司
Related reactions
0 records
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Compound notes
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