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Faropenem Sodium
CAS: 122547-49-3 | C12H15NNaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122547-49-3
Molecular Formula:
C12H15NNaO5S
Molecular Mass:
308.31 g/mol
Names and Synonyms:
Faropenem Sodium
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-, sodium salt (1:1), (5R,6S)-
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-, monosodium salt, [5R-[3(R*),5α,6α(R*)]]-
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-, monosodium salt, (5R,6S)-
SUN 5555
ALP 201
SY 5555
Wy 49605
Furopenem
Faropenem sodium
(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[(2R)-2-tetrahydrofuryl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt
Fropenem
Farom
Identifiers:
SMILES:
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12.[Na]
InChI:
InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/t5-,6-,7+,11-;/m1./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.31 g/mol | CAS Common Chemistry |
| 308.311 g/mol | RDKit | |
| 308.0568628600001 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)C1=C(SC2N1C(=O)C2C(O)C)C3OCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/t5-,6-,7+,11-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAHYBLKQUGVSKQ-VUKDEKJYSA-N | CAS Common Chemistry |
| Name | Faropenem sodium | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.07000000000001 Ų | RDKit |
| LogP | -0.007100000000000106 | RDKit |
| Molar Refractivity | 72.78560000000003 | RDKit |
