Durlobactam Sodium - Moligand™, ≥99% , CAS No.1467157-21-6

CAS: 1467157-21-6 Cat. No.: D954853 분자식: C₈H₁₀N₃NaO₆S 분자량: 299.24

GRADE & PURITY Moligand™, ≥99%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

Moligand™, ≥99%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• 정식 스마일: CC1=CC2CN(C1C(=O)N)C(=O)N2OS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] sulfate
• InChIKey: WHHNOICWPZIYKI-IBTYICNHSA-M
• INCHI: 1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1
• 이성체 SMILES: CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)[O-].[Na+]
• 대체 CAS: 1467157-21-6
• MeSH 용어: (2s,5r)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo(3.2.1)oct-3-en-6-yl sulfate;durlobactam;ETX2514;sulfuric acid, mono((2s,5r)-2-(aminocarbonyl)-3-methyl-7-oxo-1,6-diazabicyclo(3.2.1)oct-3-en-6-yl) ester
• 분자량: 299.24

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

• 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: Alpha amino acids and derivatives
• Alternative Parents: Imidazolidinones Organic sulfuric acids and derivatives Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Imidazolidinone - Imidazolidine - Organic sulfuric acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organic sodium salt - Organic cation - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• 감도: Air sensitive;Moisture sensitive;light sensitive
• 분자량: 299.240 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 299.019 Da
• Monoisotopic Mass: 299.019 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 541.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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