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Cefotam
CAS: 64485-93-4 | C16H17N5NaO7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64485-93-4
Molecular Formula:
C16H17N5NaO7S2
Molecular Weight:
478.4640000000001 g/mol
Names and Synonyms:
Cefotam
Synonym
Cefoxim
Synonym
Ceftim
Synonym
Ceftop
Synonym
Cefotaxime Sodium
Synonym
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, sodium salt (1:1), (6R,7R)-
Synonym
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, monosodium salt, [6R-[6α,7β(Z)]]-
Synonym
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-
Synonym
HR 756
Synonym
RU 24756
Synonym
Cefotaxime sodium salt
Synonym
Cefotaxime sodium
Synonym
(+)-Cefotaxime sodium salt
Synonym
Tolycar
Synonym
Sodium cefotaxime
Synonym
Chemcef
Synonym
Pretor
Synonym
Cefotax
Synonym
Oritaxim
Synonym
Biotax
Synonym
Cefantral
Synonym
Novatax
Synonym
Cefomerc
Synonym
Sefagen
Synonym
Clafora
Synonym
Baxim
Synonym
Biolog
Synonym
Bioxim
Synonym
CefSo
Synonym
Cefacron
Synonym
Cefcan
Synonym
Cefomed
Synonym
Cefomerk
Synonym
Cefon
Synonym
Ceftoringe
Synonym
Cefronate
Synonym
Calcef
Synonym
Claftax
Synonym
Clavox
Synonym
Califrid
Synonym
Eaxiron
Synonym
Elkotak
Synonym
Epotazime
Synonym
Evotaxime
Synonym
Excef
Synonym
Forax
Synonym
Fortax
Synonym
Zafixime
Synonym
Identifiers:
SMILES:
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.[Na]
InChI:
InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/b20-9-;/t10-,14-;/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 478.46 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(=NOC)C=3N=C(SC3)N None | Legacy Database |
| cas-inchi | InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/b20-9-;/t10-,14-;/m1./s1 None | Legacy Database |
| cas-inchi-key | InChIKey=UWNYOXHAYFLGIE-JUZDKLSSSA-N None | Legacy Database |
| cas-name | Cefotaxime sodium None | Legacy Database |
| LogP | -0.33262999999999837 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 478.4640000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 478.04670916400005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 31 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 177.73 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 112.06300000000003 | RDKit |