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62-68-0

62-68-0 structural image
Product Name: PROADIFEN HYDROCHLORIDE
Formula: C23H32ClNO2
Synonyms: α-Phenyl-α-propylbenzeneacetic acid 2-(diethylamino)ethyl ester;N,N-Diethylaminoethyl 2,2-diphenylvalerate;Proadifen;SKF-525A;SKF-525A, Hydrochloride - CAS 62-68-0 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 47.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 187.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.

COMPUTED DESCRIPTORS

Molecular Weight 390.0 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 11
Exact Mass 389.2121570 g/mol
Monoisotopic Mass 389.2121570 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 375
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.