| CAS Number | 10488-39-8 |
| Catalog Number | AG008WHS(AGN-PC-0WH2U0) |
| Chemical Name | 1-DescarbaMoxy-2-carbaMoxy MethocarbaMol |
| IUPAC Name | [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate |
| InChI | InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-7-8(6-13)17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) |
| InChI Key | SGJBZNIRQFJMEA-UHFFFAOYSA-N |
| MDL Number | MFCD01631097 |
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.2405 |
| SMILES | C(N)(OC(CO)COC1=C(C=CC=C1)OC)=O |
| Synonyms | 10488-39-8,
1-Descarbamoyl-2-carbamoyl Methocarbamol,
Methocarbamol B-Isomer,
CHEMBL1083154,
DTXSID10677020,
1-Descarbamoxy-2-carbamoxy methocarbamol,
FT-0665953,
3-(2-Methoxyphenoxy)-1,2-propanediol 2-Carbamate,
1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl carbamate,
1-(Hydroxymethyl)-2-(o-methoxyphenoxy)carbamic Acid Ethyl Ester,
Carbamic acid 1-(hydroxymethyl)-2-(2-methoxyphenoxy)ethyl ester,
SGJBZNIRQFJMEA-UHFFFAOYSA-N,
3-(2-methoxyphenoxy)propanediol 2-carbamate,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.243g/mol |
| Monoisotopic Mass | 241.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number