Cas no 128013-69-4 (rac-Pregabalin)

Technical Introduction: rac-Pregabalin rac-Pregabalin is a racemic mixture of Pregabalin, a gamma-aminobutyric acid (GABA) analog with notable pharmacological activity. It serves as a valuable reference standard in analytical and research applications, particularly in the study of stereoselective pharmacokinetics and pharmacodynamics. The racemic form allows for comparative investigations into the individual enantiomers' biological effects, aiding in the development of chiral separation methods and enantiomer-specific studies. rac-Pregabalin is utilized in preclinical research to evaluate binding affinity, metabolic pathways, and therapeutic potential. Its well-characterized properties make it a reliable tool for pharmaceutical and neuroscience research, supporting advancements in neuropathic pain and epilepsy treatment mechanisms.
rac-Pregabalin structure
rac-Pregabalin structure
Product Name:rac-Pregabalin
CAS No:128013-69-4
MF:C8H17NO2
MW:159.2260825634
CID:63914
PubChem ID:4715169
Update Time:2025-11-02

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 Production Method

rac-Pregabalin Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:128013-69-4)3-(氨甲基)-5-甲基己酸
Order Number:LE5738617
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:45
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:128013-69-4)3-(Aminomethyl)-5-methylhexanoic acid
Order Number:sfd12547
Stock Status:in Stock
Quantity:200kg
Purity:99%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally

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.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:128013-69-4)3-(氨甲基)-5-甲基己酸
LE5738617
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:128013-69-4)3-(Aminomethyl)-5-methylhexanoic acid
sfd12547
Purity:99%
Quantity:200kg
Price ($):Inquiry
Email