| CAS Number | 152575-13-8 |
| Catalog Number | AG00ADUZ(AGN-PC-0WOZQ1) |
| Chemical Name | CEFACLOR, DELTA-3-ISOMER (30 MG) |
| IUPAC Name | (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
| InChI | InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-6,9-11,14H,17H2,(H,18,20)(H,22,23)/t9-,10-,11?,14-/m1/s1 |
| InChI Key | UPMVPDSZPOOATN-ULZUWYFZSA-N |
| MDL Number | MFCD25977763 |
| Molecular Formula | C15H14ClN3O4S |
| Molecular Weight | 367.8074 |
| SMILES | O=C1N2[C@@]([C@@H]1NC([C@H](N)C3=CC=CC=C3)=O)(SC=C(Cl)C2C(O)=O)[H] |
| Synonyms | 152575-13-8,
Delta-3 Cefaclor,
AKOS027326794,
(2R,6R,7R)- and (2S,6R,7R)-7-[[(2R)-2-Amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic Acid (delta-3-Cefaclor),
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid,
(6R,7R)-7-[[(R)-Aminophenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-3-ene-2-carboxylic acid,
Cefaclor Delta-3 Isomer,
CS-T-10705,
CEFACLOR, DELTA-3-ISOMER (30 MG),
|
| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.804g/mol |
| Monoisotopic Mass | 367.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number