| CAS Number | 56193-21-6 |
| Catalog Number | AG00DFHT(AGN-PC-0WH4T8) |
| Chemical Name | Cephalexin Sulfoxide |
| IUPAC Name | (7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C16H17N3O5S/c1-8-7-25(24)15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15?,25?/m1/s1 |
| InChI Key | GAMHLNJQISGSQF-KBHJFDKPSA-N |
| MDL Number | MFCD21363511 |
| Molecular Formula | C16H17N3O5S |
| Molecular Weight | 363.3883 |
| SMILES | CC1=C(N2[C@@H]([C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)S(=O)C1)C(=O)O |
| Synonyms | 56193-21-6,
DTXSID90747311,
FT-0664462,
(7R)-7-{[(2R)-2-Amino-2-phenylacetyl]amino}-3-methyl-5,8-dioxo-5lambda~4~-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
[6R-[6|A,7|A(R*)]]-7-[(Aminophenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid 5-Oxide,
Cephalexin Sulfoxide,
|
| Complexity | 671 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.388g/mol |
| Monoisotopic Mass | 363.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number