Thonzylamine - ≥98% , CAS No.91-85-0

CAS: 91-85-0 Cat. No.: T413469 Formule: C₁₆H₂₂N₄O Poids moléculaire: 286.38 PubChem CID: 5457

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

Information

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504750895

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

PubChem CID

5457

Poids moléculaire

286.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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)
• Sensibilité: Easy to absorb moisture
• Poids moléculaire: 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

Foire aux questions

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.