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

CAS: 3168-01-2 Cat. No.: H423294 분자식: C₁₅H₂₂N₂O₄S 분자량: 326.41

등급 & 순도 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

개요

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

사양

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

2.152

hba_count

3

HBD 수

3

회전 가능한 결합

4

이름과 식별자

Pubchem Sid

528764841

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 199.135335989411
• 분자량: 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