| CAS Number | 120882-22-6 |
| Catalog Number | AG0074GS(AGN-PC-001FRU) |
| Chemical Name | Desfuroyl Ceftiofur |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C14H15N5O5S3/c1-24-18-7(6-4-27-14(15)16-6)10(20)17-8-11(21)19-9(13(22)23)5(2-25)3-26-12(8)19/h4,8,12,25H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1 |
| InChI Key | OITCOWCNESRWSM-GHXIOONMSA-N |
| MDL Number | MFCD00877095 |
| Molecular Formula | C14H15N5O5S3 |
| Molecular Weight | 429.4944 |
| SMILES | SCC1=C(C(O)=O)N2[C@]([C@H](NC(/C(C3=CSC(N)=N3)=NOC)=O)C2=O)([H])SC1 |
| Synonyms | desfuroylceftiofur,
Desfuroyl Ceftiofur,
120882-22-6,
Defuroylceftiofur,
Defuroylceftiofur-d3,
Desfuroyl Ceftiofur-d3,
DFC-d3,
AC1NUP8F,
SCHEMBL9366408,
(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,
(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino-d3)acetyl]amino]-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
Desfuroylceftiofur,
C14H15N5O5S3,
C14-H15-N5-O5-S3,
DFC,
|
| Complexity | 730 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 429.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.484g/mol |
| Monoisotopic Mass | 429.024g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 202A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number