562-10-7
Product Name:
Doxylamine succinate
Formula:
C21H28N2O5
Synonyms:
Doxylamine succinate salt
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Doxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992) |
|---|---|
| Melting Point | 217 to 226 °F (NTP, 1992) |
| Solubility | >58.3 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 162.6 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 |
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 388.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 388.19982200 g/mol |
| Monoisotopic Mass | 388.19982200 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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
Doxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992)