Propiverine hydrochloride - 10mM in DMSO , CAS No.54556-98-8

CAS: 54556-98-8 Cat. No.: P424652 Fórmula: C₂₃H₂₉NO₃ · HCl Peso molecular: 403.94 Número CE: 641-384-5

GRADE & PURITY 10mM in DMSO

Synonyms

AC-2076 | DC4GZD10H3 | CAS-54556-98-8 | CCG-268683 | Mictonetten | 4-(tert-butoxycarbonyl)morpholin-2-ylmethanol | P-4 | DTXCID9026847 | (1-methyl-3,4,5,6-tetrahydro-2h-pyridin-4-yl) 2,2-diphenyl-2-propoxy acetate hydrochloride | Propiverine (hydrochlorid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Product introduction

Propiverine hydrochloride is a bladder spasmolytic with calcium antagonistic and anticholinergic properties. Propiverine hydrochloride can be used for the research of overactive blaqdder and urinary incontinence；

Specifications

Sinónimos

AC-2076 | DC4GZD10H3 | CAS-54556-98-8 | CCG-268683 | Mictonetten | 4-(tert-butoxycarbonyl)morpholin-2-ylmethanol | P-4 | DTXCID9026847 | (1-methyl-3,4,5,6-tetrahydro-2h-pyridin-4-yl) 2,2-diphenyl-2-propoxy acetate hydrochloride | Propiverine (hydrochlorid

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528766810

Sorrisos canónicos

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C.Cl

IUPAC Name

(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate;hydrochloride

InChIKey

KFUJMHHNLGCTIJ-UHFFFAOYSA-N

INCHI

1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H

SMILES isoméricas

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C.Cl

WGK Alemanha

3

RTECS

AH3297000

CAS alternativo

60569-19-9

Peso molecular

403.94

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: Benzylethers Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Hydrochloride - Amine - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 403.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 403.191 Da
• Monoisotopic Mass: 403.191 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 429.000
• 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