| CAS Number | 79750-46-2 |
| Catalog Number | AG00G50S(AGN-PC-0UF71F) |
| Chemical Name | [6R-[6α,7β(R*)]]-7-[(AMinophenylacetyl)aMino]-3-Methyl-8-oxo-5-thia-1-azabicyclo[4.2.0 |
| IUPAC Name | (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-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/h2-7,10-12,15H,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,12?,15-/m1/s1 |
| InChI Key | UALOAEFJDPITFY-XOGJBXBPSA-N |
| MDL Number | MFCD00167148 |
| Molecular Formula | C16H17N3O4S |
| Molecular Weight | 347.3889 |
| SMILES | N[C@@H](C(=O)N[C@H]1[C@H]2SC=C(C(N2C1=O)C(=O)O)C)C1=CC=CC=C1 |
| Synonyms | 79750-46-2,
DELTA2-CEPHALEXIN,
Delta 2 Cephalexin,
Cephalexin Impurity F,
DTXSID80554692,
FT-0664461,
(6R,7R)-7-[[(2R)-Aminophenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic Acid,
(6R,7R)-7-{[(2R)-2-Amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-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-3-ene-2-carboxylic Acid,
| currency2-Cephalexin,
|
| Complexity | 588 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number