Detomidine HCl - Moligand™, ≥98% , CAS No.90038-01-0

CAS: 90038-01-0 Cat. No.: D129815 분자식: C₁₂H₁₄N₂·HCl 분자량: 222.71 EC 번호: 682-040-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

Z2756516861 | 5-(2,3-Dimethylbenzyl)imidazole Hydrochloride | 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride | AKOS024464193 | 4-[(2,3-dimethylbenzyl)]imidazole hydrochloride | SW219456-1 | SY046831 | Detomidine HCl | NCGC00182057-03 | 4-(2,3-D

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

Detomidine HCl produce dose-dependent sedative and analgesic effects, mediatated by activation of α2 catecholamine receptors.
An α2-adrenergic agonist.

Specifications

동의어

Z2756516861 | 5-(2,3-Dimethylbenzyl)imidazole Hydrochloride | 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride | AKOS024464193 | 4-[(2,3-dimethylbenzyl)]imidazole hydrochloride | SW219456-1 | SY046831 | Detomidine HCl | NCGC00182057-03 | 4-(2,3-D

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Detomidine HCl is a nonnarcotic, synthetic alpha-2 adrenoreceptor agonist. Alpha2-adrenergic agonists produce dose-dependent sedative and analgesic effects, mediatated by activation of alpha-2 catecholamine receptors, thus inducing a negative feedback res

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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등급

Moligand™

작업 유형

AGONIST

순수함

≥98%

이름과 식별자

Pubchem Sid

488183391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183391

정식 스마일

CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl

IUPAC Name

5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride

InChIKey

OIWRDXKNDCJZSM-UHFFFAOYSA-N

INCHI

1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H

이성체 SMILES

CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl

분자량

222.71

Reaxy-Rn

10287321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10287321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-xylene - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, methanol, and DMSO.
• 감도: Moisture sensitive
• 녹는점(°C): 160°C
• 분자량: 222.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.092 Da
• Monoisotopic Mass: 222.092 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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: 2

XLogP3