Emepronium Bromide , CAS No.3614-30-0

CAS: 3614-30-0 Cat. No.: E335704 분자식: C₂₀H₂₈BrN 분자량: 362.35

Synonyms

Emeproniumbromid [German] | Ripirin | DTXSID50875265 | Ammonium, ethyldimethyl(1-methyl-3,3-diphenylpropyl)-, bromide | Bromure d'emepronium [INN-French] | 4,4-diphenylbutan-2-yl-ethyl-dimethylazanium;bromide | Emepron bromide | Emepronii bromidum | EMEPR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Emepronium Bromide is an antispasmodic. Used in treatment of urinary incontinence. Anticholinergic overactive bladder.

사양

동의어

Emeproniumbromid [German] | Ripirin | DTXSID50875265 | Ammonium, ethyldimethyl(1-methyl-3,3-diphenylpropyl)-, bromide | Bromure d'emepronium [INN-French] | 4,4-diphenylbutan-2-yl-ethyl-dimethylazanium;bromide | Emepron bromide | Emepronii bromidum | EMEPR

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

정식 스마일

CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]

IUPAC Name

4,4-diphenylbutan-2-yl-ethyl-dimethylazanium;bromide

InChIKey

UVKFSMBPRQBNCH-UHFFFAOYSA-M

INCHI

1S/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1

이성체 SMILES

CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]

분자량

362.35

Reaxy-Rn

4050804

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4050804&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: 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: 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

• 녹는점(°C): >192° C (dec.)
• 분자량: 362.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 361.141 Da
• Monoisotopic Mass: 361.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 266.000
• 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: 2

XLogP3

자주 묻는 질문

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 3614-30-0, the molecular formula is C20H28BrN, and the molecular weight is 362.35 g/mol. InChIKey UVKFSMBPRQBNCH-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.