Metoprolol tartaric acid
Basic information
- CAS
56392-17-7- Standard SMILES
COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
WPTKISQJQVFSQI-LREBCSMRSA-N- Molecular formula
- C19H31NO9
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.19988157
Names & identifiers
- Preferred name
- Metoprolol tartaric acid
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- Metoprolol tartrate
- Molecular formula
- 2C15H25NO3.C4H6O6
- Molecular weight
- 684.82
Names & synonyms
Metoprolol tartaric acidMLS000028581SMR000058971Opera_ID_936Prestwick3_000733BSPBio_000686BPBio1_000756CHEMBL1200840SCHEMBL29995613HMS2230J08AKOS015960390AC-1104
Show more names
betalocbeloch93/26PrelisNiflamselokenMetaproSipseronlopresorSelopral
(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
Database identifiers
- CAS
56392-17-7- PubChem CID
- 41860
- ChEMBL
CHEMBL1200840
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 120 ℃ · 120℃
- Boiling point
- 695.37 °C · 695.37°C (rough estimate)
- Density
- 1.1946 · 1.1946 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble50mg/mL
- form
- powder
- color
- white to off-white
- Water Solubility
- Soluble in water (>1000 mg/ml), methanol (>500 mg/ml), chloroform (496 mg/ml), ethanol (31 mg/ml at 25°C), and DMSO (100 mg/ml at 25°C).
- λmax
- 223 nm · 223nm(H2O)(lit.)
- Merck
- 14 · 14,6151
- BCS Class
- 1 · 1
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- clinical testing
- InChI
- 1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
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
- UB7450100
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 29225090
- Toxicity
- LD50 in female mice, male rats (mg/kg): 118, ~90 i.v.; 2090, 3090 orally (Bodin)
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45-24/25
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes,Central nervous system
- Hazard statements
- H361d-H411
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P201-P202-P273-P280-P308+P313-P391
Chemistry & industry
Applications
UsesHypertensive medication.
DescriptionMetoprolol (tartrate) (Item No. 21165) is an analytical reference standard categorized as a β1-adrenergic receptor blocker. This product is intended for use in analytical forensic applications. Metoprolol (succinate) is available as a general research tool .
UsesMetoprolol tartrate is an antagonist of the β1-AR (β1-adrenoceptor). It inhibits spontaneous endothelin-1 production in vitro and displays antihypertensive and antianginal activity in vivo.
UsesA β1 selective aryloxypropanolamine andrenergic antagonist. Used in the treatment of a variety of cardiovascular disorder. Antihypertensive; antianginal; antiarrhythmic (class II).
Usesalpha(1)-adrenergic blocker
UsesA b1-Adrenergic blocker
UsesA selective aryloxypropanolamine andrenergic antagonist. Used in the treatment of a variety of cardiovascular disorder. Antihypertensive; antianginal; antiarrhythmic (class II)
General DescriptionA certified solution standard applicable for use in clinical toxicology or forensic analysis by LC-MS/MS or GC/MS. Metoprolol is used for the treatment of multiple heart conditions including hypertension, angina, and tachycardia. This beta blocker is sold under the trade names Lepressor and Toprol XL.
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