603-00-9
Product Name:
PROXYPHYLLINE
Formula:
C10H14N4O3
Synonyms:
(1,3-Dimethyl-7-[2-hydroxypropyl]-2,6-dioxopurine);7-(β-Hydroxypropyl)theophylline;Proxyphylline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >35.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 149.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2103 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 238.24 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.10659032 g/mol |
| Monoisotopic Mass | 238.10659032 g/mol |
| Topological Polar Surface Area | 78.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 348 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Proxyphylline is an oxopurine.