Timolol Hemihydrate
Basic information
- CAS
91524-16-2- Standard SMILES
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O- InChIKey
TWBNMYSKRDRHAT-RCWTXCDDSA-N- Molecular formula
- C26H50N8O7S2
- Average molar mass
- 650.9 g/mol
- Monoisotopic mass
- 650.32438831
Overview
(S)-timolol hemihydrate is a hydrate, which is the hemihydrate form of the (S)-() (more active) enantiomer of timolol. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and an antiglaucoma drug. It contains a (S)-timolol (anhydrous).
Names & identifiers
- Preferred name
- Timolol Hemihydrate
- IUPAC
- bis((2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol);hydrate
- English name
- Timolol hemihydrate
- Molecular formula
- C26H50N8O7S2
- Molecular weight
- 650.8546
Names & synonyms
Timolol hemihydrate91524-16-2DTXSID70238611RefChem:933078DTXCID20161102(S)-timolol hemihydrateTimolol (USAN)Timolol [USAN]Betimol (TN)(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydratetimolol.0.5H2OTIMOLOL [VANDF]
Show more names
(-)-S-Timolol(-) S Timolol()STimolol,( ) S Timolol
TIMOLOL [EMA EPAR]SCHEMBL345440TIMOLOL [ORANGE BOOK]TWBNMYSKRDRHAT-RCWTXCDDSA-NTIMOLOL HEMIHYDRATE [VANDF]EBC-80036TIMOLOL HEMIHYDRATE [WHO-DD]DA-68197
Database identifiers
- CAS
91524-16-2- PubChem CID
- 62933
- DTXSID
DTXSID70238611- ChEBI
CHEBI:60787- UNII
- 817W3C6175
- EC Number
- 691-281-4
Properties
Computed structural properties
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- FDA UNII
- 817 W3C6175 · 817W3C6175
- Signal word
- Warning
- Hazard statements
- 351 · H351-H302-H319
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Hazard statements
- H351-H302-H319
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
TIMOLOL HEMIHYDRATE
beta-Adrenergic Blocker [EPC]; Adrenergic beta-Antagonists [MoA]
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.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Applications
UsesBetimol(Sanofi Winthrop).
Additional notes
DefinitionChEBI: (S)-timolol hemihydrate is a hydrate, which is the hemihydrate form of the (S)-(-) (more active) enantiomer of timolol. It has a role as an antihypertensive agent, an anti-arrhythmia drug, a beta-adrenergic antagonist and an antiglaucoma drug. It contains a (S)-timolol (anhydrous).
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