Hydroxyhexamide - 10mM in DMSO , CAS No.3168-01-2

CAS: 3168-01-2 Cat. No.: H423294 Formule: C₁₅H₂₂N₂O₄S Poids moléculaire: 326.41

GRADE & PURITY 10mM in DMSO

Synonyms

Q27277583 | (+/-)-Hydroxyhexamid | ()-Hydroxyhexamid | 1-CYCLOHEXYL-3-((P-(1-HYDROXYETHYL)-PHENYL)SULFONYL)UREA | ( inverted exclamation markA)-Hydroxyhexamid;Hydroxyhexamide, (+-)-isomer | MFCD00871870 | HY-B1103 | N-[(Cyclohexylamino)carbonyl]-4-(1-hydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Hydroxyhexamide is a pharmacologically active metabolite of Acetohexamide, used as a hypoglycemic agents.

Specifications

Synonymes

Q27277583 | (+/-)-Hydroxyhexamid | ()-Hydroxyhexamid | 1-CYCLOHEXYL-3-((P-(1-HYDROXYETHYL)-PHENYL)SULFONYL)UREA | ( inverted exclamation markA)-Hydroxyhexamid;Hydroxyhexamide, (+-)-isomer | MFCD00871870 | HY-B1103 | N-[(Cyclohexylamino)carbonyl]-4-(1-hydr

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: 2.152
• hba_count: 3
• Nombre de HBD: 3
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 528764841
• Sourires canoniques: CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O
• IUPAC Name: 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
• InChIKey: VQDAEOYLIBGCHE-UHFFFAOYSA-N
• INCHI: 1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
• Isomères SMILES: CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O
• Poids moléculaire: 326.41
• Reaxy-Rn: 2667247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2667247&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Sulfonylureas Organosulfonic acids and derivatives Aminosulfonyl compounds Secondary alcohols Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Sulfonylurea - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carbonic acid derivative - Secondary alcohol - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 199.135335989411
• Poids moléculaire: 326.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.13 Da
• Monoisotopic Mass: 326.13 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 460.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1