GI-570310 - 10mM in DMSO , CAS No.301210-82-2

CAS: 301210-82-2 Cat. No.: G423102 Formule: C₁₃H₁₃N₃O₅ Poids moléculaire: 291.26

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

a-glucosidase inhibitors

Specifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

0.565

hba_count

3

Liaison rotative

3

Noms et identifiants

Pubchem Sid

528764602

Sourires canoniques

C1COCCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

IUPAC Name

2-(morpholin-4-ylmethyl)-5-nitroisoindole-1,3-dione

InChIKey

CWKLCBJZEKEMMS-UHFFFAOYSA-N

INCHI

1S/C13H13N3O5/c17-12-10-2-1-9(16(19)20)7-11(10)13(18)15(12)8-14-3-5-21-6-4-14/h1-2,7H,3-6,8H2

Isomères SMILES

C1COCCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Poids moléculaire

291.26

Reaxy-Rn

23447694

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23447694&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Nitroaromatic compounds N-substituted carboxylic acid imides Morpholines Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Nitroaromatic compound - Morpholine - Carboxylic acid imide, n-substituted - Oxazinane - Benzenoid - Carboxylic acid imide - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 291.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 291.086 Da
• Monoisotopic Mass: 291.086 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 457.000
• 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