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

CAS: 3168-01-2 Cat. No.: H423294 分子式: C₁₅H₂₂N₂O₄S 分子量: 326.41

グレード＆純度 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

概要

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

仕様

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

2.152

hba_count

3

HBD数

3

回転可能な結合

4

名前と識別子

パブケム・シド

528764841

カノニカル・スマイル

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)

異性体SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 199.135335989411
• 分子量: 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