| CAS Number | 28315-50-6 |
| Catalog Number | AG00C28U(AGN-PC-0R3VCW) |
| Chemical Name | benzocaine N-glucoside |
| IUPAC Name | ethyl 4-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoate |
| InChI | InChI=1S/C15H21NO7/c1-2-22-15(21)8-3-5-9(6-4-8)16-14-13(20)12(19)11(18)10(7-17)23-14/h3-6,10-14,16-20H,2,7H2,1H3/t10?,11-,12+,13?,14-/m1/s1 |
| InChI Key | FREAPVFREJJKCA-OONHEIRLSA-N |
| MDL Number | MFCD00674883 |
| Molecular Formula | C15H21NO7 |
| Molecular Weight | 327.3297 |
| SMILES | CCOC(=O)c1ccc(cc1)N[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Synonyms | Benzocaine N-|A-D-Glucoside,
28315-50-6,
N-Glucoanesthesin,
Benzocaine N-glucoside,
DTXSID40747088,
FT-0662561,
p-(|A-D-glucopyranosylamino)benzoic Acid Ethyl Ester,
4-(|A-D-glucopyranosylamino)benzoic Acid Ethyl Ester,
N-[4-(Ethoxycarbonyl)phenyl]-beta-D-threo-hexopyranosylamine,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.333g/mol |
| Monoisotopic Mass | 327.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number