52-49-3
Product Name:
Benzhexol hydrochloride
Formula:
C20H31NO.ClH
Synonyms:
(±)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride;Trihexyphenidyl hydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >50.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 174.9 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. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 337.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 337.2172423 g/mol |
| Monoisotopic Mass | 337.2172423 g/mol |
| Topological Polar Surface Area | 23.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 314 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trihexyphenidyl hydrochloride is an aralkylamine.