| CAS Number | 34632-04-7 |
| Catalog Number | AG00C9BM(AGN-PC-0RA0JN) |
| Chemical Name | L-Cephalexin |
| IUPAC Name | (6R,7R)-7-[[(2S)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(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+/m0/s1 |
| InChI Key | ZAIPMKNFIOOWCQ-FIXISWKDSA-N |
| MDL Number | MFCD21363512 |
| Molecular Formula | C16H17N3O4S |
| Molecular Weight | 347.3889 |
| SMILES | CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@@H](N)c3ccccc3)C2=O)C(=O)O |
| Synonyms | L-Cefalexin,
34632-04-7,
CTK1C0988,
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2S)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-,
ZINC3977822,
AKOS030241979,
Cefalexin,
L-Cephalexin,
CID10521584,
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| Complexity | 600 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.389g/mol |
| Monoisotopic Mass | 347.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number