Glicaramide - ≥95% , CAS No.36980-34-4

CAS: 36980-34-4 Cat. No.: G968274 Molecular Weight: 598.800

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCN1C2=NC=C(C(=C2C(=N1)C)OCCC(C)C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4
• IUPAC Name: N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-3-methyl-4-(3-methylbutoxy)pyrazolo[3,4-b]pyridine-5-carboxamide
• InChIKey: DIBGLVNSPMMGHO-UHFFFAOYSA-N
• INCHI: 1S/C30H42N6O5S/c1-5-36-28-26(21(4)34-36)27(41-18-16-20(2)3)25(19-32-28)29(37)31-17-15-22-11-13-24(14-12-22)42(39,40)35-30(38)33-23-9-7-6-8-10-23/h11-14,19-20,23H,5-10,15-18H2,1-4H3,(H,31,37)(H2,33,35,38)
• Molecular Weight: 598.800

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Pyridinecarboxamides Pyrazolopyridines Benzenesulfonyl compounds Sulfonylureas Alkyl aryl ethers Pyrazoles Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Organic carbonic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Pyrazolopyridine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 598.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 598.294 Da
• Monoisotopic Mass: 598.294 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 977.000
• 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: 1