Basic information
- CAS
63659-19-8- Standard SMILES
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.[Cl-].[H+]- InChIKey
CHDPSNLJFOQTRK-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Overview
See also: Betaxolol Hydrochloride (preferred); Betaxolol (has active moiety); Betaxolol hydrochloride; pilocarpine hydrochloride (component of).
Names & identifiers
- Preferred name
- CID 657296
- IUPAC
- 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydron;chloride
- English name
- Betaxolol hydrochloride
- Molecular formula
- C18H30ClNO3
- Molecular weight
- 343.89
Names & synonyms
SCHEMBL613385AKOS026749833SL 75212BETAXOLOL HCLKerlonkerlonebetopticsl-d.212BetaxoloBetoptimasl75212-10SL 75212 HCl
Database identifiers
- CAS
63659-19-8- PubChem CID
- 657296
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 116 ° · 116°
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 36 mg/mL, soluble
- form
- solid
- color
- white
- Water Solubility
- 50 mM · Soluble to 50 mM in water
- Merck
- 14 · 14,1182
- Stability
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H
- InChIKey
- CHDPSNLJFOQTRK-UHFFFAOYSA-N
- SMILES
- C1(OCC(O)CNC(C)C)C=CC(CCOCC2CC2)=CC=1.Cl
- CAS DataBase Reference
- 63659 · 63659-19-8(CAS DataBase Reference)
- FDA UNII
- 6 X97D2XT0O · 6X97D2XT0O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
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
- wgk
- 3
- rtecs
- UA9823000
- hs_code
- 2922504500
- Toxicity
- LD50 in mice (mg/kg): 944 orally; 37 i.v. (Manoury)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
DescriptionBetaxolol (hydrochloride) (Item No. 26285) is an analytical reference standard categorized as a β1-adrenergic receptor antagonist. Formulations containing β-adrenergic receptor antagonists have been used to enhance physical performance in athletes. This product is intended for use in analytical forensic applications. This product is also available as a general research tool .
DescriptionBetaxolol hydrochloride is a cardioselective β-adrenergic blocker, reportedly devoid of intrinsic sympathomimetic and membrane stabilizing properties. Its long duration of action permits once-daily dosing in mild to moderate hypertension. It is also being evaluated in glaucoma.
Usesantifungal
UsesBetaxolol Hydrochloride, a cardioselective β1-adrenergic blocker. An antihypertensive; antiglaucoma.
Suppliers100 total
安徽省庆云医药股份有限公司[email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…