3366-95-8
Product Name:
alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
Formula:
C7H11N3O3
Synonyms:
1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazole;1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2-ol;SYM-1219
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >27.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 135.2 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 |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 185.18 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 185.08004122 g/mol |
| Monoisotopic Mass | 185.08004122 g/mol |
| Topological Polar Surface Area | 83.9 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 194 |
| 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
Secnidazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It has a role as an epitope. It is a C-nitro compound, a member of imidazoles and a secondary alcohol.