Gabapentin HCl - ≥98% , CAS No.60142-95-2

CAS: 60142-95-2 Cat. No.: E129603 분자식: C₉H₁₇NO₂.HCl 분자량: 207.7 EC 번호: 262-075-8

등급 & 순도 ≥98%

Synonyms

1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1aminomethyl-1-cyclohexane-acetic acid hydrochloride | Gabarone | AKOS008977333 | TRIFLATE ANHYDRIDE | (1-aminomethyl)-cyclohexaneacetic acid hy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Gabapentin HCl is a GABA analogue.

사양

동의어

1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1aminomethyl-1-cyclohexane-acetic acid hydrochloride | Gabarone | AKOS008977333 | TRIFLATE ANHYDRIDE | (1-aminomethyl)-cyclohexaneacetic acid hy

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

488195820

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195820

정식 스마일

C1CCC(CC1)(CC(=O)O)CN.Cl

IUPAC Name

2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride

InChIKey

XBUDZAQEMFGLEU-UHFFFAOYSA-N

INCHI

1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H

이성체 SMILES

C1CCC(CC1)(CC(=O)O)CN.Cl

분자량

207.7

Reaxy-Rn

6438841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6438841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Amino fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO <1 mg/mL (<1 mM);Water 42 mg/mL (202.21 mM);Ethanol <1 mg/mL (<1 mM)
• 분자량: 207.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.103 Da
• Monoisotopic Mass: 207.103 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 60142-95-2, the molecular formula is C9H18ClNO2, and the molecular weight is 207.7 g/mol. InChIKey XBUDZAQEMFGLEU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.