| CAS Number | 56271-94-4 |
| Catalog Number | AG00DF5Z(AGN-PC-0SL7HH) |
| Chemical Name | (6R,7R)-7-((Z)-2-(Furan-2-yl)-2-(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| EC Number | 260-086-2 |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C15H15N3O7S/c1-24-17-9(8-3-2-4-25-8)12(20)16-10-13(21)18-11(15(22)23)7(5-19)6-26-14(10)18/h2-4,10,14,19H,5-6H2,1H3,(H,16,20)(H,22,23)/b17-9-/t10-,14-/m1/s1 |
| InChI Key | OUSLHGWWWMRAIG-FBCAJUAOSA-N |
| MDL Number | MFCD28898531 |
| Molecular Formula | C15H15N3O7S |
| Molecular Weight | 381.3605 |
| SMILES | OC(C1=C(CO)CS[C@@]([C@@H]2NC(/C(C3=CC=CO3)=NOC)=O)([H])N1C2=O)=O |
| UNII | G9A49M069D |
| Synonyms | Descarbamoyl Cefuroxime,
UNII-G9A49M069D,
G9A49M069D,
56271-94-4,
Decarbamylcefuroxime,
EINECS 260-086-2,
SCHEMBL4750949,
(6R,7R)-7-((Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
ZINC13552107,
AKOS030567223,
(6R-(6alpha,7beta(Z)))-7-(2-Furyl(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,
(6R)-7alpha-[[2-Furanyl(methoxyimino)acetyl]amino]-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R,7R)-7-[[(2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,
C15H15N3O7S,
C15-H15-N3-O7-S,
CID9800056,
[6R-[6alpha,7beta(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
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| Complexity | 693 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 381.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.359g/mol |
| Monoisotopic Mass | 381.063g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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