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

CAS: 54556-98-8 Cat. No.: P424652 Formule: C₂₃H₂₉NO₃ · HCl Poids moléculaire: 403.94 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528766810

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

AH3297000

CAS alternatif

60569-19-9

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

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