Cas no 1173021-73-2 (rac Albuterol-d9)
rac Albuterol-d9 Chemical and Physical Properties
Names and Identifiers
-
- a1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol-d9
- RAC ALBUTEROL-D9
- Salbutamol-d9
- 4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
- Salbutamol-(tert-butyl-d9) acetate
- Albuterol-d9
- Salbutamol-tert-butyl-d9
- (±)-2-(tert-Butyl-d9-amino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol acetate salt
- Albuterol-(tert-butyl-d9) acetate
- Salbutamol-(tert-butyl-d9) acetate salt
- 1,3-Benzenedimethanol, alpha1-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]-4-hydroxy-
- SCHEMBL20769028
- AKOS030241318
- F90452
- J-003578
- Salbutamol-tert-butyl-d9, 98 atom % D, 97% (CP)
- DTXSID10675541
- 4-(1-HYDROXY-2-{[2-((2)H?)METHYL(1,1,1,3,3,3-(2)H?)PROPAN-2-YL]AMINO}ETHYL)-2-(HYDROXYMETHYL)PHENOL
- 1173021-73-2
- CS-0169433
- HY-B1037S2
- (+/-)-Albuterol-d9 (tert-butyl-d9)
- rac Albuterol-d9
-
- MDL: MFCD08702933
- Inchi: 1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i1D3,2D3,3D3
- InChI Key: NDAUXUAQIAJITI-GQALSZNTSA-N
- SMILES: OC(C1C=CC(=C(CO)C=1)O)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 248.20900
- Monoisotopic Mass: 248.20863425g/mol
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 72.7?2
Experimental Properties
- Color/Form: NA
- Density: 1.2±0.1 g/cm3
- Melting Point: 142-146°C
- Boiling Point: 433.5±40.0 °C at 760 mmHg
- Flash Point: 128.4±30.4 °C
- PSA: 72.72000
- LogP: 1.69690
rac Albuterol-d9 Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Hazardous Material Identification:
- Storage Condition:Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
rac Albuterol-d9 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 32143-10MG |
Salbutamol-( |
1173021-73-2 | VETRANAL | 10MG |
10483.52 | 2021-05-13 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci75358-1mg |
Salbutamol-d9 |
1173021-73-2 | 98% | 1mg |
¥916.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci75358-5mg |
Salbutamol-d9 |
1173021-73-2 | 98% | 5mg |
¥3987.00 | 2022-04-26 | |
| TRC | A514502-2.5mg |
rac Albuterol-d9 |
1173021-73-2 | 2.5mg |
$ 247.00 | 2023-09-09 | ||
| TRC | A514502-25mg |
rac Albuterol-d9 |
1173021-73-2 | 25mg |
$ 1866.00 | 2023-09-09 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-219798-2.5 mg |
rac Albuterol-d9, |
1173021-73-2 | 2.5 mg |
¥2,294.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-219798-2.5mg |
rac Albuterol-d9, |
1173021-73-2 | 2.5mg |
¥2294.00 | 2023-09-05 | ||
| 1PlusChem | 1P000EKB-1mg |
1,3-Benzenedimethanol, α1-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]-4-hydroxy- |
1173021-73-2 | ≥99% deuterated forms (d1-d9) | 1mg |
$211.00 | 2025-02-18 | |
| A2B Chem LLC | AA18075-1mg |
1,3-Benzenedimethanol, α1-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]-4-hydroxy- |
1173021-73-2 | ≥99% deuterated forms (d1-d9) | 1mg |
$142.00 | 2024-04-20 | |
| MedChemExpress | HY-B1037S2-2500μg |
Salbutamol-d |
1173021-73-2 | 2500μg |
¥6180 | 2024-05-21 |
rac Albuterol-d9 Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Additional information on rac Albuterol-d9
Introduction to rac Albuterol-d9 (CAS No. 1173021-73-2)
rac Albuterol-d9 (CAS No. 1173021-73-2) is a deuterated form of the well-known bronchodilator Albuterol. This compound is extensively used in pharmaceutical research, particularly in the development and testing of new drugs and formulations. The deuterium labeling of Albuterol provides several advantages, including enhanced stability and improved pharmacokinetic properties, making it a valuable tool in various scientific applications.
The chemical structure of rac Albuterol-d9 is characterized by the substitution of hydrogen atoms with deuterium atoms, which are isotopes of hydrogen with an additional neutron. This modification results in a heavier molecule that exhibits distinct physical and chemical properties compared to its non-deuterated counterpart. The deuterium labeling can be strategically placed at specific positions within the molecule to achieve desired effects, such as increased metabolic stability or altered binding affinities.
In recent years, the use of deuterated compounds has gained significant attention in the pharmaceutical industry due to their potential to improve drug efficacy and safety. For instance, a study published in the Journal of Medicinal Chemistry highlighted the benefits of deuterium labeling in enhancing the metabolic stability of drugs, thereby extending their half-life and reducing the frequency of dosing required. This is particularly relevant for compounds like Albuterol, which are used to manage conditions such as asthma and chronic obstructive pulmonary disease (COPD).
The pharmacological properties of rac Albuterol-d9 are similar to those of its non-deuterated form, but with notable differences in metabolic pathways. The β2-adrenergic receptor agonist activity of Albuterol is retained, making it effective in relaxing bronchial smooth muscle and improving airflow. However, the deuterium labeling can slow down the rate of metabolism, leading to a more sustained release and potentially reduced side effects.
Clinical trials involving deuterated compounds have shown promising results in terms of safety and efficacy. A phase II clinical trial evaluating a deuterated version of a bronchodilator similar to Albuterol-d9 demonstrated a significant reduction in adverse events compared to the non-deuterated form. These findings suggest that deuterium labeling can be a valuable strategy for optimizing drug performance and patient outcomes.
The synthesis of rac Albuterol-d9 involves several steps, including the selective deuteration of specific positions on the albuterol molecule. Advanced techniques such as catalytic deuteration and isotopic exchange reactions are commonly employed to achieve high levels of deuteration efficiency and purity. The resulting compound is then subjected to rigorous quality control measures to ensure its suitability for use in pharmaceutical research.
In addition to its applications in drug development, rac Albuterol-d9 is also used as an internal standard in analytical methods for quantifying albuterol levels in biological samples. The stable isotopic label provides a reliable reference point for accurate and precise measurements, which is crucial for pharmacokinetic studies and therapeutic drug monitoring.
The environmental impact of deuterated compounds like rac Albuterol-d9 is another important consideration. Deuteration does not significantly alter the environmental fate or toxicity profile of the parent compound, but it can influence biodegradation rates and bioaccumulation potential. Therefore, ongoing research is focused on understanding these aspects to ensure the safe use and disposal of deuterated pharmaceuticals.
In conclusion, rac Albuterol-d9 (CAS No. 1173021-73-2) represents an important advancement in the field of pharmaceutical research. Its unique properties make it a valuable tool for developing more effective and safer drugs, particularly for respiratory conditions. As research continues to uncover new applications and benefits, the role of deuterated compounds like rac Albuterol-d9 is likely to expand further in both academic and industrial settings.
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