| CAS Number | 103121-85-3 |
| Catalog Number | AG008X03(AGN-PC-0OS6AC) |
| Chemical Name | CefepiMe interMediate (7-PIME) |
| IUPAC Name | (6R,7R)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C13H19N3O3S.ClH/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H/t9-,12-;/m1./s1 |
| InChI Key | UVKYDOZUOXJZSR-WYUVZMMLSA-N |
| MDL Number | MFCD29045498 |
| Molecular Formula | C13H20ClN3O3S |
| Molecular Weight | 333.8342 |
| SMILES | C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O.[Cl-] |
| Synonyms | 1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium Chloride,
SCHEMBL9602368,
J-000878,
103121-85-3,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.831g/mol |
| Monoisotopic Mass | 333.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number