78-44-4
Product Name:
Carisoprodol
Formula:
C12H24N2O4
Synonyms:
2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Carisoprodol is a white powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Taste | Slightly bitter taste |
| Boiling Point | 423.412 |
| Melting Point | 198 to 199 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| LogP | 2.1 |
| LogS | -2.5 |
| Stability/Shelf Life | STABLE IN DIL ACIDS & ALKALIES. |
| Dissociation Constants | 15.06 (Strongest acidic) |
| Collision Cross Section | 149.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1861 1847 1847 1855 1850 1841 1830 |
| Other Experimental Properties | Stable in dilute acids and alkalies |
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 | 260.33 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 260.17360725 g/mol |
| Monoisotopic Mass | 260.17360725 g/mol |
| Topological Polar Surface Area | 90.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 281 |
| 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
Carisoprodol is a white powder. (NTP, 1992)