Mazokalim , CAS No.164178-54-5

CAS: 164178-54-5 Cat. No.: M977745 Formula: C₂₃H₂₈N₆O₆ Peso molecolare: 484.500

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

CCOC(=O)CCCN1C(=NN=N1)C2=CC3=C(C=C2)OC([C@@]([C@@H]3OC4=NNC(=O)C=C4)(C)O)(C)C

IUPAC Name

ethyl 4-[5-[(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-4H-chromen-6-yl]tetrazol-1-yl]butanoate

InChIKey

NMOVZVDTGJSEMC-OFNKIYASSA-N

INCHI

1S/C23H28N6O6/c1-5-33-19(31)7-6-12-29-21(26-27-28-29)14-8-9-16-15(13-14)20(23(4,32)22(2,3)35-16)34-18-11-10-17(30)24-25-18/h8-11,13,20,32H,5-7,12H2,1-4H3,(H,24,30)/t20-,23+/m1/s1

Peso molecolare

484.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Pyridazinones Alkyl aryl ethers Fatty acid esters Benzenoids Tetrazoles Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Fatty acid ester - Pyridazinone - Pyridazine - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Tertiary alcohol - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 484.500 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 484.207 Da
• Monoisotopic Mass: 484.207 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 865.000
• 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: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 164178-54-5, the molecular formula is C23H28N6O6, and the molecular weight is 484.500 g/mol. InChIKey NMOVZVDTGJSEMC-OFNKIYASSA-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.