LY233536 - Moligand™ , CAS No.136845-59-5

CAS: 136845-59-5 Cat. No.: L611637

GRADE & PURITY Moligand™

Synonyms

LY 233536|136845-59-5|LY-233536|LY233536|Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid|3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-ylmethyl)-, (3R,4aS,6R,8aS)-|3-Isoquinolinecarboxylic acid, decahydro-6-(1H-tetrazol-5-yl

Storage

Room temperature

Specifications

동의어

LY 233536 | 136845-59-5 | LY-233536 | LY233536 | Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid | 3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-ylmethyl)-, (3R,4aS,6R,8aS)- | 3-Isoquinolinecarboxylic acid, decahydro-6-(1H-tetrazol-5-yl

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

이름과 식별자

• 정식 스마일: OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1
• IUPAC Name: (3R,4aS,6R,8aS)-6-(1H-1,2,3,4-tetrazol-5-ylmethyl)-decahydroisoquinoline-3-carboxylic acid
• InChIKey: ACTONBBIVMTUAJ-DOLQZWNJSA-N
• INCHI: 1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1
• 이성체 SMILES: C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CC3=NNN=N3)C(=O)O
• Reaxy-Rn: 48186786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48186786&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 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 D-alpha-amino acids

• 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 - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Piperidinecarboxylic acids Aralkylamines Tetrazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: D-alpha-amino acid - Piperidinecarboxylic acid - Aralkylamine - Piperidine - Heteroaromatic compound - Tetrazole - Azole - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-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

화학 및 물리적 특성

• 분자량: 265.310 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 265.154 Da
• Monoisotopic Mass: 265.154 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 1

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 136845-59-5. InChIKey ACTONBBIVMTUAJ-DOLQZWNJSA-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.