Cas no 128013-69-4 (rac-Pregabalin)
rac-Pregabalin Chemical and Physical Properties
Names and Identifiers
-
- 3-(Aminomethyl)-5-methylhexanoic acid
- (+/-)-Pregabalin
- rac-Pregabalin
- rac Pregabalin
- ()-PREGABALIN
- (+-)-3-(aminomethyl)-5-methylhexanoic acid
- (R,S)-i-butyl GABA
- (RS)-3-AMINOMETHYL-5-METHYLHEXANOIC ACID
- (RS)-3-AMINOMETHYL-5-METHYL-HEXANOIC ACID
- 3-AMINOMETHYL-5-METHYLHEXANOIC ACID
- 3-isobutyl-GABA
- HEXANOIC ACID,3-(AMINOMETHYL)-5-METHYL-
- PREGABALIN
- rac-CI-1008
- rac-PD-144723
- Pregabalin impurity C
- 3-Aminomethyl-5-methyl-hexanoic acid
- 3-(Aminomethyl)-5-methylhexanoicacid
- 3-(aminomethyl)-5-methyl-hexanoic acid
- Hexanoic acid, 3-(aminomethyl)-5-methyl-
- AYXYPKUFHZROOJ-UHFFFAOYSA-N
- Pregabalin;
- PubChem15652
- BCP17115
- BCP05685
- FC0023
- BBL100350
- R-Pregabalin
- Pregabalin Racemate
- Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-
- US9663479, Pregabalin
- BDBM32
- CS-0113684
- AC-1337
- DS-10736
- AB87416
- Pregabalin EP Impurity B;(3R)-3-(aminomethyl)-5-methylhexanoic acid
- AMY33454
- DTXSID20861392
- 130912-52-6
- BDBM327847
- NCGC00095186-02
- FT-0643142
- 128013-69-4
- CHEMBL88034
- AKOS005638873
- FT-0648922
- rac-Pregabalin; Hexanoic acid, 3-(aminomethyl)-5-methyl-; 3-(Aminomethyl)-5-methylhexanoic acid; (+/-)-Pregabalin
- MFCD00906155
- Racemic Pregabalin (3-(Aminomethyl)-5-Methylhexanoic Acid)
- SCHEMBL15497
- PHARMA-0589
- FT-0674010
- BCP33617
- .gamma.-Aminobutyric acid, 3-isobutyl-
- NCGC00095186-01
- A805776
- 3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID,99%
- STK894330
- Hexanoic acid,3-(aminomethyl)-5-methyl-, (3R)-
- DB-041992
- (3S)-3-(aminomethyl)-5-methyl-hexanoic acid
-
- MDL: MFCD00906155
- Inchi: 1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
- InChI Key: AYXYPKUFHZROOJ-UHFFFAOYSA-N
- SMILES: OC(CC(CN)CC(C)C)=O
Computed Properties
- Exact Mass: 159.12600
- Monoisotopic Mass: 159.125928785 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 123
- 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: -1.6
- Topological Polar Surface Area: 63.3
- Molecular Weight: 159.23
Experimental Properties
- Density: 0.997
- Melting Point: 148-150oC
- Boiling Point: 274 oC
- Flash Point: 119 oC
- PSA: 63.32000
- LogP: 1.78240
rac-Pregabalin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D850602-1g |
3-(Aminomethyl)-5-methylhexanoic Acid |
128013-69-4 | ≥95% | 1g |
¥111.00 | 2022-01-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D850602-5g |
3-(Aminomethyl)-5-methylhexanoic Acid |
128013-69-4 | ≥95% | 5g |
¥326.00 | 2022-01-10 | |
| TRC | P704800-5mg |
rac-Pregabalin |
128013-69-4 | 5mg |
$ 121.00 | 2023-04-15 | ||
| TRC | P704800-10mg |
rac-Pregabalin |
128013-69-4 | 10mg |
$ 219.00 | 2023-09-06 | ||
| TRC | P704800-25mg |
rac-Pregabalin |
128013-69-4 | 25mg |
$ 489.00 | 2023-09-06 | ||
| TRC | P704800-50mg |
rac-Pregabalin |
128013-69-4 | 50mg |
$ 891.00 | 2023-09-06 | ||
| TRC | P704800-100mg |
rac-Pregabalin |
128013-69-4 | 100mg |
$ 1654.00 | 2023-04-15 | ||
| abcr | AB336712-5g |
3-(Aminomethyl)-5-methylhexanoic acid, 95%; . |
128013-69-4 | 95% | 5g |
€117.40 | 2024-04-19 | |
| abcr | AB336712-25g |
3-(Aminomethyl)-5-methylhexanoic acid, 95%; . |
128013-69-4 | 95% | 25g |
€251.00 | 2024-04-19 | |
| abcr | AB336712-100g |
3-(Aminomethyl)-5-methylhexanoic acid, 95%; . |
128013-69-4 | 95% | 100g |
€627.50 | 2024-04-19 |
rac-Pregabalin Suppliers
rac-Pregabalin Related Literature
-
Jae-Hoon Jung,Doo-Ha Yoon,Philjun Kang,Won Koo Lee,Heesung Eum,Hyun-Joon Ha Org. Biomol. Chem. 2013 11 3635
-
Zhi Chen,Hualei Wang,Lin Yang,Shuiqing Jiang,Dongzhi Wei Chem. Commun. 2021 57 931
-
Princy Gupta,Aman Mahajan RSC Adv. 2015 5 26686
-
S. Ramanaiah,Vikram Karde,P. Venkateswarlu,Chinmay Ghoroi RSC Adv. 2015 5 48712
-
Rastislav Baran,Eva Veverková,Andrea ?kvorcová,Radovan ?ebesta Org. Biomol. Chem. 2013 11 7705
Additional information on rac-Pregabalin
Comprehensive Guide to rac-Pregabalin (CAS No. 128013-69-4): Properties, Applications, and Market Insights
rac-Pregabalin (CAS No. 128013-69-4) is a stereoisomeric form of Pregabalin, a well-known compound with significant pharmacological importance. This racemic mixture has garnered attention in both academic research and industrial applications due to its unique chemical properties and potential therapeutic benefits. In this article, we delve into the molecular structure, synthesis, applications, and market trends of rac-Pregabalin, providing a thorough understanding of its role in modern science and medicine.
The chemical formula of rac-Pregabalin is C8H17NO2, and it is classified as a gamma-aminobutyric acid (GABA) analog. Unlike its enantiomerically pure counterpart, Pregabalin, the racemic form exhibits distinct physicochemical properties, making it a subject of interest for researchers exploring chiral drug development. The compound's CAS number 128013-69-4 is a unique identifier that ensures precise tracking in chemical databases and regulatory documents.
One of the most frequently asked questions about rac-Pregabalin is its difference from Pregabalin. While both compounds share a similar backbone, the racemic mixture contains equal parts of R- and S-enantiomers, which can influence its biological activity and pharmacokinetics. This distinction is critical for researchers working on enantioselective synthesis and drug formulation, as it impacts the compound's efficacy and safety profile.
In recent years, rac-Pregabalin has been studied for its potential applications in neuropathic pain management and anxiety disorders. Although Pregabalin is already FDA-approved for these indications, the racemic form offers new avenues for understanding the role of stereochemistry in drug action. Researchers are particularly interested in how the individual enantiomers interact with voltage-gated calcium channels, a key mechanism underlying its therapeutic effects.
The synthesis of rac-Pregabalin typically involves multi-step organic reactions, including asymmetric hydrogenation and chiral resolution techniques. These methods are essential for producing high-purity batches required for pharmaceutical research. Companies specializing in custom synthesis and contract manufacturing often offer rac-Pregabalin as a reference standard or intermediate for drug development projects.
From a market perspective, the demand for rac-Pregabalin is driven by its utility in preclinical studies and analytical testing. Pharmaceutical companies and academic institutions frequently procure this compound to investigate its pharmacokinetic properties and compare it with Pregabalin. The growing interest in personalized medicine and chiral therapeutics further underscores the importance of understanding racemic mixtures like rac-Pregabalin.
Another hot topic in the scientific community is the environmental impact of pharmaceutical compounds. While rac-Pregabalin is not classified as a hazardous substance, researchers are increasingly studying its biodegradation and ecotoxicity to ensure sustainable use. This aligns with global efforts to promote green chemistry and reduce the environmental footprint of drug manufacturing.
For those seeking to purchase rac-Pregabalin, it is crucial to source it from reputable suppliers who provide certificates of analysis (CoA) and material safety data sheets (MSDS). These documents verify the compound's purity, stability, and handling requirements, ensuring compliance with regulatory standards. Online platforms and chemical marketplaces often list rac-Pregabalin alongside related products like Pregabalin intermediates and chiral building blocks.
In conclusion, rac-Pregabalin (CAS No. 128013-69-4) is a versatile compound with significant implications for pharmaceutical research and development. Its unique stereochemical properties, combined with its potential therapeutic applications, make it a valuable tool for scientists exploring drug discovery and mechanistic studies. As the field of chiral pharmacology continues to evolve, rac-Pregabalin will undoubtedly remain a subject of interest for years to come.
128013-69-4 (rac-Pregabalin) Related Products
- 1189980-48-0(rac-Pregabalin-13C3)
- 130912-50-4(3-(aminomethyl)-4-methylpentanoic acid)
- 202644-46-0(Heptanoic acid, 3-(aminomethyl)-6-methyl-, (R)-)
- 128013-67-2(Heptanoic acid, 3-(aminomethyl)-)
- 313651-03-5(Nonanoic acid, 3-(aminomethyl)-5-methyl-)
- 313651-04-6(Decanoic acid, 3-(aminomethyl)-5-methyl-)
- 313651-02-4(Octanoic acid, 3-(aminomethyl)-5-methyl-)
- 313651-33-1(Octanoic acid, 3-(aminomethyl)-5-methyl-, (3S,5R)-)
- 1276197-54-6(Pregabalin-d4)
- 134391-49-4(Heptanoic acid, 3-(aminomethyl)-6-methyl-, (±)-)