Thonzylamine - ≥98% , CAS No.91-85-0

CAS: 91-85-0 Cat. No.: T413469 분자식: C₁₆H₂₂N₄O 분자량: 286.38 PubChem CID: 5457

등급 & 순도 ≥98%

Synonyms

Tonamil | NCGC00178145-01 | Resistab (Salt/Mix) | THONZYLAMINE [INN] | N-[(4-METHOXYPHENYL)METHYL]-N',N'-DIMETHYL-N-PYRIMIDIN-2-YLETHANE-1,2-DIAMINE HYDROCHLORIDE | thonzylamine | Novohetramin (Salt/Mix) | 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Information

Thonzylamine Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.

사양

동의어

Tonamil | NCGC00178145-01 | Resistab (Salt/Mix) | THONZYLAMINE [INN] | N-[(4-METHOXYPHENYL)METHYL]-N',N'-DIMETHYL-N-PYRIMIDIN-2-YLETHANE-1,2-DIAMINE HYDROCHLORIDE | thonzylamine | Novohetramin (Salt/Mix) | 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504750895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750895

정식 스마일

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2

IUPAC Name

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine

InChIKey

GULNIHOSWFYMRN-UHFFFAOYSA-N

INCHI

1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3

이성체 SMILES

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2

PubChem CID

5457

분자량

286.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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(인간)

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 57 mg/mL (199.04 mM); Water: 57 mg/mL (199.04 mM); Ethanol: 13 mg/mL (45.39 mM)
• 감도: Easy to absorb moisture
• 분자량: 286.370 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.179 Da
• Monoisotopic Mass: 286.179 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 273.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 91-85-0, the molecular formula is C16H22N4O, and the molecular weight is 286.38 g/mol. InChIKey GULNIHOSWFYMRN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.