GLP-1 antagonist - ≥99% , CAS No.475466-57-0

CAS: 475466-57-0 Cat. No.: G1266048 PubChem CID: 10226693

GRADE & PURITY ≥99%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1CN2C(=C(N=C2CN(CCC(C)C)C(=O)C3=C(C=C(C=C3)OC)OC)C)C
• IUPAC Name: N-[[4,5-dimethyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide
• InChIKey: BFYLULHOYZNWPC-UHFFFAOYSA-N
• INCHI: 1S/C28H37N3O3/c1-19(2)14-15-30(28(32)25-13-12-24(33-6)16-26(25)34-7)18-27-29-21(4)22(5)31(27)17-23-11-9-8-10-20(23)3/h8-13,16,19H,14-15,17-18H2,1-7H3
• Isomeric SMILES: CC1=CC=CC=C1CN2C(=C(N=C2CN(CCC(C)C)C(=O)C3=C(C=C(C=C3)OC)OC)C)C
• PubChem CID: 10226693

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides 1,2,4,5-tetrasubstituted imidazoles Phenoxy compounds Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - 1,2,4,5-tetrasubstituted imidazole - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Toluene - Alkyl aryl ether - N-substituted imidazole - Tertiary carboxylic acid amide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: 463.600 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 463.283 Da
• Monoisotopic Mass: 463.283 Da
• Topological Polar Surface Area: 56.600 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 630.000
• 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