Back to Search
Molecule
Chloramphenicol Sodium Succinate
CAS: 982-57-0 · C15H16Cl2N2NaO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 982-57-0
- Molecular Formula
- C15H16Cl2N2NaO8
- Molecular Mass
- 446.20 g/mol
Identifiers
CAS Registry Number
982-57-0
SMILES
O=C(O)CCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na]
InChI Key
OQAWGHRXAVKAIG-HTMVYDOJSA-N
InChI
InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/t10-,13-;/m1./s1
Names and Synonyms
- Chloramphenicol Sodium Succinate Common Name
- Butanedioic acid, 1-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, sodium salt (1:1) Synonym
- Chloramphenicol sodium hemisuccinate Synonym
- Cidocetine Synonym
- Protophenicol Synonym
- Chloramphenicol monosuccinate sodium salt Synonym
- Succinic acid, α-monoester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide, monosodium salt Synonym
- Butanedioic acid, mono[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, monosodium salt, [R-(R*,R*)]- Synonym
- Butanedioic acid, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, monosodium salt Synonym
- Chloramphenicol sodium succinate Synonym
- Chloramphenicol succinate sodium salt Synonym
- Chloromycetin sodium succinate Synonym
- Levomycetin-Nalcein Synonym
- Sodium chloramphenicol 3-succinate Synonym
- Solnicol Synonym
- Chloramphenicol succinate sodium Synonym
- Sodium chloramphenical monosuccinate Synonym
- D-Chloramphenicol sodium succinate Synonym
- Chloramphenicol sodium monosuccinate Synonym
- Chlorocid S Synonym
- Levomycetin sodium succinate Synonym
- Sodium chloramphenicol succinate Synonym
- Betamicetin Synonym
- Mychel-S Synonym
- Nalecin Synonym
- Nevimycin Synonym
- Clorofenicina Synonym
- Cloromoin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.20 g/mol | CAS Common Chemistry |
| 446.19500000000016 g/mol | RDKit | |
| 446.195 g/mol | RDKit | |
| 447.197 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/t10-,13-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OQAWGHRXAVKAIG-HTMVYDOJSA-N | CAS Common Chemistry |
| Name | Chloramphenicol sodium succinate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 159.56 Ų | RDKit |
| 154.72 Ų | chempirical lib | |
| LogP | 1.7842 | RDKit |
| 1.86 | chempirical lib | |
| Molar Refractivity | 100.98480000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 445.01814011199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 446.20 g/mol. Edit any field — others recompute live.
