Diphemanil Methylsulfate - ≥97% , Muscarinic acetylcholine receptor M1 antagonist, CAS No.62-97-5, Muscarinic acetylcholine receptor M1 antagonist

CAS: 62-97-5 Cat. No.: D404300 Formula: C₂₁H₂₇NO₄OS Peso molecolare: 405.51 Numero EC: 200-552-4

GRADE & PURITY ≥97%

Synonyms

Metilsulfate de diphemanil | SMR001233482 | 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate | AKOS026749921 | Diphemanil metilsulfate [INN] | Diphemanili metilsulfas (INN-Latin) | Diphemanili metilsulfas [INN-Latin] | Prantil | SW196713-3 | N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Metilsulfate de diphemanil | SMR001233482 | 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate | AKOS026749921 | Diphemanil metilsulfate [INN] | Diphemanili metilsulfas (INN-Latin) | Diphemanili metilsulfas [INN-Latin] | Prantil | SW196713-3 | N

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Muscarinic acetylcholine receptor M1 antagonist

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488180011

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180011

Sorrisi canonici

C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]

IUPAC Name

4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate

InChIKey

BREMLQBSKCSNNH-UHFFFAOYSA-M

INCHI

1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Isomeri SMILES

C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]

RTECS

TN5075000

Peso molecolare

405.51

Reaxy-Rn

3842254

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3842254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Sulfuric acid monoesters Piperidines Alkyl sulfates Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Piperidine - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Azacycle - Organoheterocyclic compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: piperidines - quaternary ammonium salt

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

Obiettivi associati (umani)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Sensibilità: Heat Sensitive
• Punto di fusione (°C): 194 °C
• Peso molecolare: 389.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 389.166 Da
• Monoisotopic Mass: 389.166 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 426.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 62-97-5, the molecular formula is C21H27NO4OS, and the molecular weight is 405.51 g/mol. InChIKey BREMLQBSKCSNNH-UHFFFAOYSA-M.

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.